[(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol

C15H22N6O — CID 176670951

IUPAC[(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
SMILESCNc1nc(N[C@H]2CNC[C@H]2CO)nc2nc(C)cc(C)c12
InChIInChI=1S/C15H22N6O/c1-8-4-9(2)18-14-12(8)13(16-3)20-15(21-14)19-11-6-17-5-10(11)7-22/h4,10-11,17,22H,5-7H2,1-3H3,(H2,16,18,19,20,21)/t10-,11-/m0/s1
InChIKeyKLIGYGUFHHYKSR-QWRGUYRKSA-N
MW302.38 g/mol
LogP0.68
Rot. Bonds4

About [(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol

[(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol (PubChem CID 176670951) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is [(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
PubChem CID176670951
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name[(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
SMILESCNc1nc(N[C@H]2CNC[C@H]2CO)nc2nc(C)cc(C)c12
InChIInChI=1S/C15H22N6O/c1-8-4-9(2)18-14-12(8)13(16-3)20-15(21-14)19-11-6-17-5-10(11)7-22/h4,10-11,17,22H,5-7H2,1-3H3,(H2,16,18,19,20,21)/t10-,11-/m0/s1
InChIKeyKLIGYGUFHHYKSR-QWRGUYRKSA-N
XLogP0.68
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol (CID 176670951) is [(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol is CNc1nc(N[C@H]2CNC[C@H]2CO)nc2nc(C)cc(C)c12.
What is the InChIKey of [(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol?
The InChIKey is KLIGYGUFHHYKSR-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22N6O/c1-8-4-9(2)18-14-12(8)13(16-3)20-15(21-14)19-11-6-17-5-10(11)7-22/h4,10-11,17,22H,5-7H2,1-3H3,(H2,16,18,19,20,21)/t10-,11-/m0/s1.
What are the key properties of [(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol has a molecular weight of 302.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 176670951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).