cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one

C11H20N4O — CID 145268943

IUPACcyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1cc(=O)[nH]cn1.NC1CCCCC1
InChIInChI=1S/C6H13N.C5H7N3O/c7-6-4-2-1-3-5-6;1-6-4-2-5(9)8-3-7-4/h6H,1-5,7H2;2-3H,1H3,(H2,6,7,8,9)
InChIKeyABWLSHHRHUXPSU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.09
Rot. Bonds1

About cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one

cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one (PubChem CID 145268943) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Namecyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
PubChem CID145268943
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Namecyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1cc(=O)[nH]cn1.NC1CCCCC1
InChIInChI=1S/C6H13N.C5H7N3O/c7-6-4-2-1-3-5-6;1-6-4-2-5(9)8-3-7-4/h6H,1-5,7H2;2-3H,1H3,(H2,6,7,8,9)
InChIKeyABWLSHHRHUXPSU-UHFFFAOYSA-N
XLogP1.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
2-(Cyclohexylamino)-3-methylpyrimidin-4-one
CID 91499766
1-(4-amino-6-oxo-1H-pyrimidin-2-yl)-3-cyclohexylurea
CID 136084608
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137060567
4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one
CID 137066078
4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one
CID 137156585
Ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237699
2-amino-4-(hexylamino)-1H-pyrimidin-6-one
CID 135514776
6-amino-2-(cyclohexylamino)pyrimidin-4(3H)-one
CID 136070960

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one (CID 145268943) is cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one is CNc1cc(=O)[nH]cn1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is ABWLSHHRHUXPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H7N3O/c7-6-4-2-1-3-5-6;1-6-4-2-5(9)8-3-7-4/h6H,1-5,7H2;2-3H,1H3,(H2,6,7,8,9).
What are the key properties of cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one?
cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 145268943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).