3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H17N3O2 — CID 103483758

IUPAC3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1Cc1ccc(CO)cc1)CNCC2
InChIInChI=1S/C15H17N3O2/c19-9-12-3-1-11(2-4-12)8-18-10-17-14-7-16-6-5-13(14)15(18)20/h1-4,10,16,19H,5-9H2
InChIKeySFOCBVCBPIAJTD-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.43
Rot. Bonds3

About 3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483758) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483758
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1Cc1ccc(CO)cc1)CNCC2
InChIInChI=1S/C15H17N3O2/c19-9-12-3-1-11(2-4-12)8-18-10-17-14-7-16-6-5-13(14)15(18)20/h1-4,10,16,19H,5-9H2
InChIKeySFOCBVCBPIAJTD-UHFFFAOYSA-N
XLogP0.43
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzoic acid
CID 155539120
3-(2-Hydroxy-1-phenylethyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 59415235
(2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide;hydrate
CID 67615328
6-[4-(hydroxymethyl)phenyl]-7,8a-dihydro-1H-imidazo[1,5-a]pyrazin-8-one
CID 130442727
2-Amino-4-butylimino-6-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-1,3-dihydropyrido[4,3-d]pyrimidin-5-one
CID 170185991
4-[4-(hydroxymethyl)phenyl]-1H-pyrimidin-6-one
CID 176047579
(2S)-2-amino-5-(diaminomethylideneamino)-N-[[4-(hydroxymethyl)phenyl]methyl]pentanamide
CID 67615329
3-[(4-Hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483812
3-[(3-Hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483870
5-Amino-1-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 104017104
3-[[4-(Hydroxymethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-one
CID 104017313
3-[[4-(Hydroxymethyl)phenyl]methyl]-5-iodo-6-methylpyrimidin-4-one
CID 104017330

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483758) is 3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1Cc1ccc(CO)cc1)CNCC2.
What is the InChIKey of 3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SFOCBVCBPIAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-9-12-3-1-11(2-4-12)8-18-10-17-14-7-16-6-5-13(14)15(18)20/h1-4,10,16,19H,5-9H2.
What are the key properties of 3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).