4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H24N4O — CID 136850118

IUPAC4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)C2CCCNCC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-10(2)14-16-12(9-13(19)17-14)18(3)11-5-4-7-15-8-6-11/h9-11,15H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyRDWWUOBFLMPEMK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.47
Rot. Bonds3

About 4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136850118) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136850118
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)C2CCCNCC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-10(2)14-16-12(9-13(19)17-14)18(3)11-5-4-7-15-8-6-11/h9-11,15H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyRDWWUOBFLMPEMK-UHFFFAOYSA-N
XLogP1.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978540
4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136958280
4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805343
4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009650
4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979615
4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136827336
4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136781024
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136977753
N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine
CID 107174242
N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 107172588

Frequently Asked Questions

What is the IUPAC name of 4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136850118) is 4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(C)C2CCCNCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RDWWUOBFLMPEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)14-16-12(9-13(19)17-14)18(3)11-5-4-7-15-8-6-11/h9-11,15H,4-8H2,1-3H3,(H,16,17,19).
What are the key properties of 4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136850118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).