N~4~-(Cyclopropylmethyl)-6-[(3R)-3-(Methylamino)-1-Pyrrolidinyl]-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C13H22N6
IUPAC Name n4-(cyclopropylmethyl)-6-[(1r,3r)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
Molecular Mass 262.354 g·mol−1
Heat of Formation 211.1 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 333.28 Å 3
Surface Area 316.02 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
Synonyms
  • [2-amino-6-[(3r)-3-methylaminopyrrolidin-1-yl]pyrimidin-4-yl]-(cyclopropylmethyl)amine
  • n'-(cyclopropylmethyl)-6-[(3r)-3-methylamino-1-pyrrolidinyl]pyrimidine-2,4-diamine
  • n'-(cyclopropylmethyl)-6-[(3r)-3-methylaminopyrrolidin-1-yl]pyrimidine-2,4-diamine
InChIKey ISBHYKVAFKTATD-SNVBAGLBSA-N
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Elements H C N