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

C12H14N4O2 — CID 23541154

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N3CCCC3CO)nc2[nH]1
InChIInChI=1S/C12H14N4O2/c17-7-9-2-1-5-16(9)12-13-6-8-3-4-10(18)14-11(8)15-12/h3-4,6,9,17H,1-2,5,7H2,(H,13,14,15,18)
InChIKeyNMXFHKVXAKPNNW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.28
Rot. Bonds2

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

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23541154) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID23541154
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N3CCCC3CO)nc2[nH]1
InChIInChI=1S/C12H14N4O2/c17-7-9-2-1-5-16(9)12-13-6-8-3-4-10(18)14-11(8)15-12/h3-4,6,9,17H,1-2,5,7H2,(H,13,14,15,18)
InChIKeyNMXFHKVXAKPNNW-UHFFFAOYSA-N
XLogP0.28
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 23541156
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
[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-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 113388101
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
CID 106998436
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
[1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 117088494
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one (CID 23541154) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(N3CCCC3CO)nc2[nH]1.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NMXFHKVXAKPNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-7-9-2-1-5-16(9)12-13-6-8-3-4-10(18)14-11(8)15-12/h3-4,6,9,17H,1-2,5,7H2,(H,13,14,15,18).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 246.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23541154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).