3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one

C19H21N5O2 — CID 66958838

IUPAC3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCNc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-20-13-5-3-12(4-6-13)15-9-16-17(19(25)24(2)11-21-16)18(23-15)22-14-7-8-26-10-14/h3-6,9,11,14,20H,7-8,10H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyJSVCPOKUMONNIG-CQSZACIVSA-N
MW351.41 g/mol
LogP2.24
Rot. Bonds4

About 3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958838) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958838
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCNc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-20-13-5-3-12(4-6-13)15-9-16-17(19(25)24(2)11-21-16)18(23-15)22-14-7-8-26-10-14/h3-6,9,11,14,20H,7-8,10H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyJSVCPOKUMONNIG-CQSZACIVSA-N
XLogP2.24
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one (CID 66958838) is 3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one is CNc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1.
What is the InChIKey of 3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JSVCPOKUMONNIG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-20-13-5-3-12(4-6-13)15-9-16-17(19(25)24(2)11-21-16)18(23-15)22-14-7-8-26-10-14/h3-6,9,11,14,20H,7-8,10H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 351.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).