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

C11H17N3O2 — CID 136956560

IUPAC4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCCCC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-7-11(4-2-1-3-5-11)14-9-6-10(16)13-8-12-9/h6,8,15H,1-5,7H2,(H2,12,13,14,16)
InChIKeyQCUIDLJPUPQWSH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.88
Rot. Bonds3

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

4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136956560) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136956560
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCCCC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-7-11(4-2-1-3-5-11)14-9-6-10(16)13-8-12-9/h6,8,15H,1-5,7H2,(H2,12,13,14,16)
InChIKeyQCUIDLJPUPQWSH-UHFFFAOYSA-N
XLogP0.88
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid
CID 137262435
4-[(1-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136956636
4-[(1-ethylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857200
6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282056
4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
CID 136976653
3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one
CID 62940974
6-[[1-(hydroxymethyl)cyclopentyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281861
4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957098
[1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol
CID 115899096
[1-[(5-amino-2-pyridinyl)amino]cyclopentyl]methanol
CID 62523964
[1-(pyrimidin-4-ylamino)cyclopentyl]methanol
CID 62519036
4-(methylamino)-1H-pyrimidin-6-one
CID 135481447

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136956560) is 4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one is O=c1cc(NC2(CO)CCCCC2)nc[nH]1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is QCUIDLJPUPQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-7-11(4-2-1-3-5-11)14-9-6-10(16)13-8-12-9/h6,8,15H,1-5,7H2,(H2,12,13,14,16).
What are the key properties of 4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).