2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine

C16H28N4 — CID 80956623

IUPAC2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CC(C)CC(C)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4/c1-11-7-12(2)10-20(9-11)14-8-13(17-6)18-15(19-14)16(3,4)5/h8,11-12H,7,9-10H2,1-6H3,(H,17,18,19)
InChIKeyLFBJNGKZYARXAF-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.30
Rot. Bonds2

About 2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine

2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 80956623) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
PubChem CID80956623
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CC(C)CC(C)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4/c1-11-7-12(2)10-20(9-11)14-8-13(17-6)18-15(19-14)16(3,4)5/h8,11-12H,7,9-10H2,1-6H3,(H,17,18,19)
InChIKeyLFBJNGKZYARXAF-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine
CID 115563096
6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80933757
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80956223
[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629494
2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 56724753
2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80967538
2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511
4-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80959348
2-tert-butyl-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine
CID 80958965
1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102971936
2-tert-butyl-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63353528
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine (CID 80956623) is 2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine is CNc1cc(N2CC(C)CC(C)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is LFBJNGKZYARXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-11-7-12(2)10-20(9-11)14-8-13(17-6)18-15(19-14)16(3,4)5/h8,11-12H,7,9-10H2,1-6H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80956623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).