6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine

C14H24N4O — CID 112869524

IUPAC6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
SMILESCOCCNc1cc(N2CCCCCC2)nc(C)n1
InChIInChI=1S/C14H24N4O/c1-12-16-13(15-7-10-19-2)11-14(17-12)18-8-5-3-4-6-9-18/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyJKKVXTWJHGVIPW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.22
Rot. Bonds5

About 6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine

6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine (PubChem CID 112869524) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
PubChem CID112869524
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
SMILESCOCCNc1cc(N2CCCCCC2)nc(C)n1
InChIInChI=1S/C14H24N4O/c1-12-16-13(15-7-10-19-2)11-14(17-12)18-8-5-3-4-6-9-18/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyJKKVXTWJHGVIPW-UHFFFAOYSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868473
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870251
N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910154
N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868832
6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874928
N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112869691
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869875
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180
2-methoxy-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122294053

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine (CID 112869524) is 6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine is COCCNc1cc(N2CCCCCC2)nc(C)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine?
The InChIKey is JKKVXTWJHGVIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12-16-13(15-7-10-19-2)11-14(17-12)18-8-5-3-4-6-9-18/h11H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine?
6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112869524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).