2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine

C16H28N4 — CID 80958618

IUPAC2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine
SMILESCC1(C)CCCN(c2cc(N)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H28N4/c1-15(2,3)14-18-12(17)11-13(19-14)20-9-6-7-16(4,5)8-10-20/h11H,6-10H2,1-5H3,(H2,17,18,19)
InChIKeyACVCHQVSJOWPLY-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.37
Rot. Bonds1

About 2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine

2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine (PubChem CID 80958618) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine
PubChem CID80958618
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine
SMILESCC1(C)CCCN(c2cc(N)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H28N4/c1-15(2,3)14-18-12(17)11-13(19-14)20-9-6-7-16(4,5)8-10-20/h11H,6-10H2,1-5H3,(H2,17,18,19)
InChIKeyACVCHQVSJOWPLY-UHFFFAOYSA-N
XLogP3.37
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 80961329
6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine
CID 79033929
2-tert-butyl-4-chloro-6-(3,3-dimethylpyrrolidin-1-yl)pyrimidine
CID 80951390
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409100
2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967534
2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 80958872
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107460198
6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine
CID 80855443
2-(4,4-dimethylazepan-1-yl)quinolin-6-amine
CID 65283520
4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 133323337
[2-cyclopropyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80968250

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine (CID 80958618) is 2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine is CC1(C)CCCN(c2cc(N)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine?
The InChIKey is ACVCHQVSJOWPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-15(2,3)14-18-12(17)11-13(19-14)20-9-6-7-16(4,5)8-10-20/h11H,6-10H2,1-5H3,(H2,17,18,19).
What are the key properties of 2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine?
2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80958618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).