2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine

C13H22N4O — CID 143641703

IUPAC2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(N2CCOCC(C)(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-10-7-11(14-4)16-12(15-10)17-5-6-18-9-13(2,3)8-17/h7H,5-6,8-9H2,1-4H3,(H,14,15,16)
InChIKeyDIQJZLIKJDQMJG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.69
Rot. Bonds2

About 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine

2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 143641703) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID143641703
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(N2CCOCC(C)(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-10-7-11(14-4)16-12(15-10)17-5-6-18-9-13(2,3)8-17/h7H,5-6,8-9H2,1-4H3,(H,14,15,16)
InChIKeyDIQJZLIKJDQMJG-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-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

4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane
CID 143641692
4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine
CID 143641707
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 95969720
4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol
CID 156605238
N-(3,5-dimethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912311
7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71971617
2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 56724753
N-cycloheptyl-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912292
N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912329
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
4-[2-iodo-6-(4,6,6-trimethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-6,6-dimethyl-1,4-oxazepane
CID 163742135
[2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541667

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine (CID 143641703) is 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(N2CCOCC(C)(C)C2)n1.
What is the InChIKey of 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is DIQJZLIKJDQMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-7-11(14-4)16-12(15-10)17-5-6-18-9-13(2,3)8-17/h7H,5-6,8-9H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine?
2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 143641703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).