2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one

C11H17N3O — CID 67424059

IUPAC2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one
SMILESNc1ncc(CC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H17N3O/c12-11-13-7-9(10(15)14-11)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,12,13,14,15)
InChIKeyOOKMLDRGAOEBIM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one

2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one (PubChem CID 67424059) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one
PubChem CID67424059
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one
SMILESNc1ncc(CC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H17N3O/c12-11-13-7-9(10(15)14-11)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,12,13,14,15)
InChIKeyOOKMLDRGAOEBIM-UHFFFAOYSA-N
XLogP1.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4(1H)-Pyrimidinone, 2-amino-5-hexyl-
CID 147277
4(1H)-Pyrimidinone, 2-amino-5-octyl-
CID 147278
2-Methylthio-5-cyclohexylmethylpyrimid-4-one
CID 12783837
2-methoxy-5-(4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 68309591
5-Butan-2-yl-2-(cyclohexylmethylamino)-3-methylpyrimidin-4-one
CID 68317404
2-(dimethylamino)-5-(2-methylbutyl)-1H-pyrimidin-6-one
CID 70593711
5-cyclohexyl-2-methyl-1H-pyrimidin-6-one
CID 117260853
2-amino-5-ethyl-6-propyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136386252
2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one
CID 140629085
2-amino-5-(4-methylheptan-4-yl)-1H-pyrimidin-6-one
CID 170004309
2-amino-5-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
CID 174181527
2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one
CID 174183345

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one (CID 67424059) is 2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one is Nc1ncc(CC2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one?
The InChIKey is OOKMLDRGAOEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-11-13-7-9(10(15)14-11)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,12,13,14,15).
What are the key properties of 2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one?
2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(cyclohexylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 67424059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).