4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one

C15H26N4O — CID 136972582

IUPAC4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CCCN)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O/c1-2-13-17-14(11-15(20)18-13)19(10-6-9-16)12-7-4-3-5-8-12/h11-12H,2-10,16H2,1H3,(H,17,18,20)
InChIKeyIIMNLQGNUGPPPV-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.82
Rot. Bonds6

About 4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136972582) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136972582
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CCCN)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O/c1-2-13-17-14(11-15(20)18-13)19(10-6-9-16)12-7-4-3-5-8-12/h11-12H,2-10,16H2,1H3,(H,17,18,20)
InChIKeyIIMNLQGNUGPPPV-UHFFFAOYSA-N
XLogP1.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.82
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
1-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]guanidine
CID 121829111
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136972582) is 4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(CCCN)C2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is IIMNLQGNUGPPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-13-17-14(11-15(20)18-13)19(10-6-9-16)12-7-4-3-5-8-12/h11-12H,2-10,16H2,1H3,(H,17,18,20).
What are the key properties of 4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).