4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one

C9H13N3O2 — CID 136957311

IUPAC4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCC2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-5-9(2-1-3-9)12-7-4-8(14)11-6-10-7/h4,6,13H,1-3,5H2,(H2,10,11,12,14)
InChIKeyHOYHQMPHNRZOJU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.10
Rot. Bonds3

About 4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one

4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one (PubChem CID 136957311) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
PubChem CID136957311
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCC2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-5-9(2-1-3-9)12-7-4-8(14)11-6-10-7/h4,6,13H,1-3,5H2,(H2,10,11,12,14)
InChIKeyHOYHQMPHNRZOJU-UHFFFAOYSA-N
XLogP0.10
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730476
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849677
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866839
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871935
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949431
4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
CID 136956306
4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136956568
4-[(3-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136956895
4-[(1-hydroxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136956931
4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136957041
4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136957257
4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136957299

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one (CID 136957311) is 4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one is O=c1cc(NC2(CO)CCC2)nc[nH]1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one?
The InChIKey is HOYHQMPHNRZOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-5-9(2-1-3-9)12-7-4-8(14)11-6-10-7/h4,6,13H,1-3,5H2,(H2,10,11,12,14).
What are the key properties of 4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one?
4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).