2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one

C11H18N4O — CID 135469314

IUPAC2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c12-11-14-9(6-10(16)15-11)13-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,12,13,14,15,16)
InChIKeyRNZFGODGDBKATF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.34
Rot. Bonds3

About 2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one

2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one (PubChem CID 135469314) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
PubChem CID135469314
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c12-11-14-9(6-10(16)15-11)13-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,12,13,14,15,16)
InChIKeyRNZFGODGDBKATF-UHFFFAOYSA-N
XLogP1.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741412
5-amino-2-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 20276614
4-methyl-2-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136151008
4-methyl-2-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136166741
2-(cyclohexylmethylamino)-4-methyl-1H-pyrimidin-6-one
CID 136186395
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
2-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 140329315
2-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 167675672
2-(2-ethylpentylamino)-1H-pyrimidin-6-one
CID 121216565
2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135412685
2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135474189

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one (CID 135469314) is 2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one is Nc1nc(NCC2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is RNZFGODGDBKATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-11-14-9(6-10(16)15-11)13-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,12,13,14,15,16).
What are the key properties of 2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one?
2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135469314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).