5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one

C11H18N4O2 — CID 136966082

IUPAC5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2CCCC(CO)C2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-9-10(13-6-14-11(9)17)15-8-3-1-2-7(4-8)5-16/h6-8,16H,1-5,12H2,(H2,13,14,15,17)
InChIKeyFKZRGENKKJPKIK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.32
Rot. Bonds3

About 5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one

5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136966082) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136966082
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2CCCC(CO)C2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-9-10(13-6-14-11(9)17)15-8-3-1-2-7(4-8)5-16/h6-8,16H,1-5,12H2,(H2,13,14,15,17)
InChIKeyFKZRGENKKJPKIK-UHFFFAOYSA-N
XLogP0.32
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(4-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136695132
5-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746821
5-amino-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746832
4-[[2-(hydroxymethyl)cyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136746834
4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746839
5-amino-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823126
5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866826
5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136902408
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958834
5-amino-4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1H-pyrimidin-6-one
CID 136975433
5-amino-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976031
5-amino-4-[(2-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136976186

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136966082) is 5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one is Nc1c(NC2CCCC(CO)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is FKZRGENKKJPKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-9-10(13-6-14-11(9)17)15-8-3-1-2-7(4-8)5-16/h6-8,16H,1-5,12H2,(H2,13,14,15,17).
What are the key properties of 5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136966082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).