2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C14H24N4O — CID 136974971

IUPAC2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCCCN1CCC(Nc2cc(=O)[nH]c(CC)n2)CC1
InChIInChI=1S/C14H24N4O/c1-3-7-18-8-5-11(6-9-18)15-13-10-14(19)17-12(4-2)16-13/h10-11H,3-9H2,1-2H3,(H2,15,16,17,19)
InChIKeyOJJGUCAADBPIOO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.62
Rot. Bonds5

About 2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136974971) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136974971
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCCCN1CCC(Nc2cc(=O)[nH]c(CC)n2)CC1
InChIInChI=1S/C14H24N4O/c1-3-7-18-8-5-11(6-9-18)15-13-10-14(19)17-12(4-2)16-13/h10-11H,3-9H2,1-2H3,(H2,15,16,17,19)
InChIKeyOJJGUCAADBPIOO-UHFFFAOYSA-N
XLogP1.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(1-ethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974521
6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80940140
2-ethyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136975586
2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
CID 137016607
4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136977664
2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136976602
2-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016321
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 80897058
2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80807984
5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65072952

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136974971) is 2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CCCN1CCC(Nc2cc(=O)[nH]c(CC)n2)CC1.
What is the InChIKey of 2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is OJJGUCAADBPIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-7-18-8-5-11(6-9-18)15-13-10-14(19)17-12(4-2)16-13/h10-11H,3-9H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).