6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

C16H28N4 — CID 80960267

IUPAC6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC(C)(C)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H28N4/c1-12(2)15-18-13(17-5)11-14(19-15)20-9-6-7-16(3,4)8-10-20/h11-12H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyKSHCKWSCVBNJPP-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.66
Rot. Bonds3

About 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80960267) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80960267
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC(C)(C)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H28N4/c1-12(2)15-18-13(17-5)11-14(19-15)20-9-6-7-16(3,4)8-10-20/h11-12H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyKSHCKWSCVBNJPP-UHFFFAOYSA-N
XLogP3.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80956947
4-methyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidin-4-ol
CID 81107552
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962074
N,3-dimethyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322336
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80959385
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80956223
6-[4-(methoxymethyl)piperidin-1-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80959307
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409033
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81469827
[2-cyclopropyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80968250
4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81107966
6-(4,4-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80823841

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80960267) is 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(N2CCCC(C)(C)CC2)nc(C(C)C)n1.
What is the InChIKey of 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is KSHCKWSCVBNJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)15-18-13(17-5)11-14(19-15)20-9-6-7-16(3,4)8-10-20/h11-12H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80960267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).