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

C17H30N4 — CID 80958872

IUPAC2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(N2CCCC(C)(C)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-7-18-13-11-14(20-15(19-13)16(2,3)4)21-10-8-9-17(5,6)12-21/h11H,7-10,12H2,1-6H3,(H,18,19,20)
InChIKeySANHULCNHISYGA-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.83
Rot. Bonds3

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

2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine (PubChem CID 80958872) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
PubChem CID80958872
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(N2CCCC(C)(C)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-7-18-13-11-14(20-15(19-13)16(2,3)4)21-10-8-9-17(5,6)12-21/h11H,7-10,12H2,1-6H3,(H,18,19,20)
InChIKeySANHULCNHISYGA-UHFFFAOYSA-N
XLogP3.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80959385
6-(3,3-dimethylpiperidin-1-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950675
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102718915
2-tert-butyl-4-chloro-6-(3,3-dimethylpyrrolidin-1-yl)pyrimidine
CID 80951390
4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80959189
N-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 107396346
2-tert-butyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-amine
CID 80958618
6-(3,3-dimethylpiperidin-1-yl)-N-propylpyrazin-2-amine
CID 80835299
2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine
CID 133402600
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409102
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80835304

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine (CID 80958872) is 2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine is CCNc1cc(N2CCCC(C)(C)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is SANHULCNHISYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-7-18-13-11-14(20-15(19-13)16(2,3)4)21-10-8-9-17(5,6)12-21/h11H,7-10,12H2,1-6H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine?
2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80958872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).