7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C18H20N4O2 — CID 66959277

IUPAC7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(CO)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C18H20N4O2/c1-11(2)20-17-16-15(19-10-22(3)18(16)24)8-14(21-17)13-6-4-12(9-23)5-7-13/h4-8,10-11,23H,9H2,1-3H3,(H,20,21)
InChIKeySYADJVPSDGUOCT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.31
Rot. Bonds4

About 7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959277) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959277
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(CO)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C18H20N4O2/c1-11(2)20-17-16-15(19-10-22(3)18(16)24)8-14(21-17)13-6-4-12(9-23)5-7-13/h4-8,10-11,23H,9H2,1-3H3,(H,20,21)
InChIKeySYADJVPSDGUOCT-UHFFFAOYSA-N
XLogP2.31
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959277) is 7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2ccc(CO)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is SYADJVPSDGUOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11(2)20-17-16-15(19-10-22(3)18(16)24)8-14(21-17)13-6-4-12(9-23)5-7-13/h4-8,10-11,23H,9H2,1-3H3,(H,20,21).
What are the key properties of 7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 324.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).