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

C15H26N4 — CID 112868302

IUPAC6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine
SMILESCCC(C)Nc1cc(N2CCCCCC2)nc(C)n1
InChIInChI=1S/C15H26N4/c1-4-12(2)16-14-11-15(18-13(3)17-14)19-9-7-5-6-8-10-19/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyDPWMCGXKVMVKKU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.38
Rot. Bonds4

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

6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine (PubChem CID 112868302) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine
PubChem CID112868302
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine
SMILESCCC(C)Nc1cc(N2CCCCCC2)nc(C)n1
InChIInChI=1S/C15H26N4/c1-4-12(2)16-14-11-15(18-13(3)17-14)19-9-7-5-6-8-10-19/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyDPWMCGXKVMVKKU-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-butan-2-yl-2-phenylpyrimidin-4-amine
CID 112879898
N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879854
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide
CID 109362582
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 97458122
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870251
6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 112869524
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868580

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine (CID 112868302) is 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine is CCC(C)Nc1cc(N2CCCCCC2)nc(C)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine?
The InChIKey is DPWMCGXKVMVKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-12(2)16-14-11-15(18-13(3)17-14)19-9-7-5-6-8-10-19/h11-12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine?
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112868302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).