2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one

C9H13N3O2 — CID 136647695

IUPAC2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC2)nc(CO)[nH]1
InChIInChI=1S/C9H13N3O2/c13-6-7-10-8(5-9(14)11-7)12-3-1-2-4-12/h5,13H,1-4,6H2,(H,10,11,14)
InChIKeyRBMQGCFFZABJGK-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.14
Rot. Bonds2

About 2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one

2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 136647695) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID136647695
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC2)nc(CO)[nH]1
InChIInChI=1S/C9H13N3O2/c13-6-7-10-8(5-9(14)11-7)12-3-1-2-4-12/h5,13H,1-4,6H2,(H,10,11,14)
InChIKeyRBMQGCFFZABJGK-UHFFFAOYSA-N
XLogP-0.14
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136706901
4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136766521
4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136766528
4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136781038
4-[cyclobutyl(2-hydroxyethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136827313
4-[cyclobutyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136827314
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136869195
2-cyclopropyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900932
4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136900933
4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136900937
2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900939
2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900941

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 136647695) is 2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one is O=c1cc(N2CCCC2)nc(CO)[nH]1.
What is the InChIKey of 2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is RBMQGCFFZABJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-6-7-10-8(5-9(14)11-7)12-3-1-2-4-12/h5,13H,1-4,6H2,(H,10,11,14).
What are the key properties of 2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136647695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).