4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one

C13H22N4O — CID 136958263

IUPAC4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C2CCC(N)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17(2)10-6-4-9(14)5-7-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,18)
InChIKeyMTEPGRQQDCDTFO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.04
Rot. Bonds3

About 4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one

4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136958263) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136958263
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C2CCC(N)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17(2)10-6-4-9(14)5-7-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,18)
InChIKeyMTEPGRQQDCDTFO-UHFFFAOYSA-N
XLogP1.04
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177233933
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
3-[3-(Cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one
CID 55236462
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756
4-amino-2-(2-aminobutyl)-1H-pyrimidin-6-one
CID 136077823
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176
4-(dimethylamino)-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136314512
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
2-(2-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314516

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136958263) is 4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(C)C2CCC(N)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is MTEPGRQQDCDTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17(2)10-6-4-9(14)5-7-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,18).
What are the key properties of 4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).