2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one

C11H17N5O2 — CID 135474227

IUPAC2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc(NCC2CCCCC2)c(N=O)c(=O)[nH]1
InChIInChI=1S/C11H17N5O2/c12-11-14-9(8(16-18)10(17)15-11)13-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15,17)
InChIKeyXLEIBNCXPUEURP-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.74
Rot. Bonds4

About 2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one

2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135474227) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135474227
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc(NCC2CCCCC2)c(N=O)c(=O)[nH]1
InChIInChI=1S/C11H17N5O2/c12-11-14-9(8(16-18)10(17)15-11)13-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15,17)
InChIKeyXLEIBNCXPUEURP-UHFFFAOYSA-N
XLogP1.74
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 20276614
(6S)-2-amino-6-[(2R)-3-nitrosobutan-2-yl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 166958829
2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135412685
2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135516642
2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one
CID 135818386
5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786653
5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825673
5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136902408
5-amino-4-[(2-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973743
5-amino-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973909
5-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 136973919
5-amino-4-(2-cyclohexylethylamino)-1H-pyrimidin-6-one
CID 136974197

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one (CID 135474227) is 2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one is Nc1nc(NCC2CCCCC2)c(N=O)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is XLEIBNCXPUEURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-11-14-9(8(16-18)10(17)15-11)13-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15,17).
What are the key properties of 2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 251.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135474227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).