2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one

C15H21N3O2 — CID 136545188

IUPAC2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C15H21N3O2/c1-10-3-2-7-18(8-6-10)15(20)12-9-13(19)17-14(16-12)11-4-5-11/h9-11H,2-8H2,1H3,(H,16,17,19)
InChIKeyAKNVUHWKIHOCGZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.91
Rot. Bonds2

About 2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 136545188) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID136545188
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C15H21N3O2/c1-10-3-2-7-18(8-6-10)15(20)12-9-13(19)17-14(16-12)11-4-5-11/h9-11H,2-8H2,1H3,(H,16,17,19)
InChIKeyAKNVUHWKIHOCGZ-UHFFFAOYSA-N
XLogP1.91
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one (CID 136545188) is 2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one is CC1CCCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is AKNVUHWKIHOCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-3-2-7-18(8-6-10)15(20)12-9-13(19)17-14(16-12)11-4-5-11/h9-11H,2-8H2,1H3,(H,16,17,19).
What are the key properties of 2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 275.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136545188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).