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

C15H26N4O — CID 136978638

IUPAC4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCCN(c1cc(=O)[nH]c(CC)n1)C1CCC(N)CC1
InChIInChI=1S/C15H26N4O/c1-3-9-19(12-7-5-11(16)6-8-12)14-10-15(20)18-13(4-2)17-14/h10-12H,3-9,16H2,1-2H3,(H,17,18,20)
InChIKeyLDYKKOAFKVJLJK-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.82
Rot. Bonds5

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

4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136978638) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136978638
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCCN(c1cc(=O)[nH]c(CC)n1)C1CCC(N)CC1
InChIInChI=1S/C15H26N4O/c1-3-9-19(12-7-5-11(16)6-8-12)14-10-15(20)18-13(4-2)17-14/h10-12H,3-9,16H2,1-2H3,(H,17,18,20)
InChIKeyLDYKKOAFKVJLJK-UHFFFAOYSA-N
XLogP1.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979257
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978140
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79117889
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979137
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79117674
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
CID 136958573
2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978098

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136978638) is 4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one is CCCN(c1cc(=O)[nH]c(CC)n1)C1CCC(N)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is LDYKKOAFKVJLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-9-19(12-7-5-11(16)6-8-12)14-10-15(20)18-13(4-2)17-14/h10-12H,3-9,16H2,1-2H3,(H,17,18,20).
What are the key properties of 4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136978638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).