4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C9H13N3O2 — CID 136958068

IUPAC4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(CO)C2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-5-7-1-2-12(4-7)8-3-9(14)11-6-10-8/h3,6-7,13H,1-2,4-5H2,(H,10,11,14)
InChIKeyHUCHGIWJSVNURU-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.41
Rot. Bonds2

About 4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136958068) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136958068
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(CO)C2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-5-7-1-2-12(4-7)8-3-9(14)11-6-10-8/h3,6-7,13H,1-2,4-5H2,(H,10,11,14)
InChIKeyHUCHGIWJSVNURU-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136987918
4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957515
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978761
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
CID 139026681
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
5-chloro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979644
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137008019
4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957566
4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one
CID 136989768
2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 137200023

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136958068) is 4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCC(CO)C2)nc[nH]1.
What is the InChIKey of 4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is HUCHGIWJSVNURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-5-7-1-2-12(4-7)8-3-9(14)11-6-10-8/h3,6-7,13H,1-2,4-5H2,(H,10,11,14).
What are the key properties of 4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).