2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one

C15H23N3O — CID 137009763

IUPAC2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C15H23N3O/c1-2-11-4-3-8-18(9-7-11)13-10-14(19)17-15(16-13)12-5-6-12/h10-12H,2-9H2,1H3,(H,16,17,19)
InChIKeyHUZUZOUJYXJCPP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.66
Rot. Bonds3

About 2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one (PubChem CID 137009763) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
PubChem CID137009763
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C15H23N3O/c1-2-11-4-3-8-18(9-7-11)13-10-14(19)17-15(16-13)12-5-6-12/h10-12H,2-9H2,1H3,(H,16,17,19)
InChIKeyHUZUZOUJYXJCPP-UHFFFAOYSA-N
XLogP2.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998
2-cyclopropyl-4-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007807
2-cyclopropyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137009758
4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972628
methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 137007527
4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972855
2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80959321
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 137009141

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one (CID 137009763) is 2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one is CCC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HUZUZOUJYXJCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-11-4-3-8-18(9-7-11)13-10-14(19)17-15(16-13)12-5-6-12/h10-12H,2-9H2,1H3,(H,16,17,19).
What are the key properties of 2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one has a molecular weight of 261.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137009763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).