2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one

C11H19N5O — CID 135412685

IUPAC2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCC2CCCCC2)c(N)c(=O)[nH]1
InChIInChI=1S/C11H19N5O/c12-8-9(15-11(13)16-10(8)17)14-6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H4,13,14,15,16,17)
InChIKeyOJXVLTWCZWPTAA-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.93
Rot. Bonds3

About 2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one

2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one (PubChem CID 135412685) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
PubChem CID135412685
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCC2CCCCC2)c(N)c(=O)[nH]1
InChIInChI=1S/C11H19N5O/c12-8-9(15-11(13)16-10(8)17)14-6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H4,13,14,15,16,17)
InChIKeyOJXVLTWCZWPTAA-UHFFFAOYSA-N
XLogP0.93
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 20276614
5-amino-2-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 20276731
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
2-Amino-7,7-dimethyl-6-propyl-3,5,6,8-tetrahydropteridin-4-one
CID 136196935
2,5-diamino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136418258
5-amino-2-cyclohexyl-4-(methylamino)-1H-pyrimidin-6-one
CID 136462582
2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 137148918
2,5-diamino-4-[[(1S)-1-aminopentyl]amino]-1H-pyrimidin-6-one
CID 140365223
2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one
CID 170274755
2-amino-8-(cyclohexylmethyl)-7-ethyl-5-methyl-6,7-dihydro-3H-pteridin-4-one
CID 176170793
2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one
CID 135449031
2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135469314

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one (CID 135412685) is 2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one is Nc1nc(NCC2CCCCC2)c(N)c(=O)[nH]1.
What is the InChIKey of 2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is OJXVLTWCZWPTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-8-9(15-11(13)16-10(8)17)14-6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H4,13,14,15,16,17).
What are the key properties of 2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one?
2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135412685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).