2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C17H18N6O2 — CID 23541156

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N3CCCC3CO)nc2n1Cc1ncccn1
InChIInChI=1S/C17H18N6O2/c24-11-13-3-1-8-22(13)17-20-9-12-4-5-15(25)23(16(12)21-17)10-14-18-6-2-7-19-14/h2,4-7,9,13,24H,1,3,8,10-11H2
InChIKeyDSEVJJURMFGLAA-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.59
Rot. Bonds4

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23541156) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID23541156
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N3CCCC3CO)nc2n1Cc1ncccn1
InChIInChI=1S/C17H18N6O2/c24-11-13-3-1-8-22(13)17-20-9-12-4-5-15(25)23(16(12)21-17)10-14-18-6-2-7-19-14/h2,4-7,9,13,24H,1,3,8,10-11H2
InChIKeyDSEVJJURMFGLAA-UHFFFAOYSA-N
XLogP0.59
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 23541154
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 10299334
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 83184365
[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
CID 90958967
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanylpyrimidine-5-carboxylic acid
CID 22665575
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 23541156) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(N3CCCC3CO)nc2n1Cc1ncccn1.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DSEVJJURMFGLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-11-13-3-1-8-22(13)17-20-9-12-4-5-15(25)23(16(12)21-17)10-14-18-6-2-7-19-14/h2,4-7,9,13,24H,1,3,8,10-11H2.
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 338.37 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23541156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).