2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

C15H17N7O — CID 58296283

IUPAC2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]ccc2nc(N[C@@H]3CCNC3)nc(NC3=CCN=C3)c12
InChIInChI=1S/C15H17N7O/c23-14-12-11(3-6-18-14)21-15(20-10-2-5-17-8-10)22-13(12)19-9-1-4-16-7-9/h1,3,6-7,10,17H,2,4-5,8H2,(H,18,23)(H2,19,20,21,22)/t10-/m1/s1
InChIKeyQOFGHKHOZROCER-SNVBAGLBSA-N
MW311.35 g/mol
LogP0.47
Rot. Bonds4

About 2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 58296283) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID58296283
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]ccc2nc(N[C@@H]3CCNC3)nc(NC3=CCN=C3)c12
InChIInChI=1S/C15H17N7O/c23-14-12-11(3-6-18-14)21-15(20-10-2-5-17-8-10)22-13(12)19-9-1-4-16-7-9/h1,3,6-7,10,17H,2,4-5,8H2,(H,18,23)(H2,19,20,21,22)/t10-/m1/s1
InChIKeyQOFGHKHOZROCER-SNVBAGLBSA-N
XLogP0.47
TPSA107.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (CID 58296283) is 2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is O=c1[nH]ccc2nc(N[C@@H]3CCNC3)nc(NC3=CCN=C3)c12.
What is the InChIKey of 2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is QOFGHKHOZROCER-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N7O/c23-14-12-11(3-6-18-14)21-15(20-10-2-5-17-8-10)22-13(12)19-9-1-4-16-7-9/h1,3,6-7,10,17H,2,4-5,8H2,(H,18,23)(H2,19,20,21,22)/t10-/m1/s1.
What are the key properties of 2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 311.35 g/mol, XLogP of 0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-pyrrolidin-3-yl]amino]-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 58296283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).