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

C15H24N6 — CID 80956877

IUPAC2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(CC)n(-c2cc(NC)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C15H24N6/c1-7-10-17-12(8-2)21(20-10)13-9-11(16-6)18-14(19-13)15(3,4)5/h9H,7-8H2,1-6H3,(H,16,18,19)
InChIKeyZYNVFOKQKYJCME-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.52
Rot. Bonds4

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

2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 80956877) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine
PubChem CID80956877
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(CC)n(-c2cc(NC)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C15H24N6/c1-7-10-17-12(8-2)21(20-10)13-9-11(16-6)18-14(19-13)15(3,4)5/h9H,7-8H2,1-6H3,(H,16,18,19)
InChIKeyZYNVFOKQKYJCME-UHFFFAOYSA-N
XLogP2.52
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80968521
2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 80965269
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966779
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine
CID 80868281
4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768588
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine
CID 80867855
[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80902698
6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773569
2-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyridine-4-carbonitrile
CID 83076611
2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine
CID 62192152
2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80956623
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine (CID 80956877) is 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine is CCc1nc(CC)n(-c2cc(NC)nc(C(C)(C)C)n2)n1.
What is the InChIKey of 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is ZYNVFOKQKYJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-7-10-17-12(8-2)21(20-10)13-9-11(16-6)18-14(19-13)15(3,4)5/h9H,7-8H2,1-6H3,(H,16,18,19).
What are the key properties of 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine?
2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 288.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80956877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).