N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C15H27N5 — CID 112870251

IUPACN-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc(NCCN(C)C)cc(N2CCCCCC2)n1
InChIInChI=1S/C15H27N5/c1-13-17-14(16-8-11-19(2)3)12-15(18-13)20-9-6-4-5-7-10-20/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyYTVZITGRKGMCAI-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.14
Rot. Bonds5

About N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 112870251) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID112870251
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc(NCCN(C)C)cc(N2CCCCCC2)n1
InChIInChI=1S/C15H27N5/c1-13-17-14(16-8-11-19(2)3)12-15(18-13)20-9-6-4-5-7-10-20/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyYTVZITGRKGMCAI-UHFFFAOYSA-N
XLogP2.14
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 112869524
ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870224
N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870213
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870514
N',N'-dimethyl-N-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 112870576
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-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868473
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589

Frequently Asked Questions

What is the IUPAC name of N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 112870251) is N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is Cc1nc(NCCN(C)C)cc(N2CCCCCC2)n1.
What is the InChIKey of N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YTVZITGRKGMCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-13-17-14(16-8-11-19(2)3)12-15(18-13)20-9-6-4-5-7-10-20/h12H,4-11H2,1-3H3,(H,16,17,18).
What are the key properties of N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 112870251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).