6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C15H24N6 — CID 80989279

IUPAC6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCc1nc(CC)n(-c2nc(C(C)C)nc(NC)c2C)n1
InChIInChI=1S/C15H24N6/c1-7-11-17-12(8-2)21(20-11)15-10(5)14(16-6)18-13(19-15)9(3)4/h9H,7-8H2,1-6H3,(H,16,18,19)
InChIKeyJWGSPJXBEDVWJK-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.66
Rot. Bonds5

About 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80989279) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80989279
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCc1nc(CC)n(-c2nc(C(C)C)nc(NC)c2C)n1
InChIInChI=1S/C15H24N6/c1-7-11-17-12(8-2)21(20-11)15-10(5)14(16-6)18-13(19-15)9(3)4/h9H,7-8H2,1-6H3,(H,16,18,19)
InChIKeyJWGSPJXBEDVWJK-UHFFFAOYSA-N
XLogP2.66
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966779
6-ethyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 63560963
6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80867685
N,5-dimethyl-2-propan-2-yl-6-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 80988902
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 83224199
6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80988906
N,5-dimethyl-6-(4-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80981572
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961764
6-(2,6-dimethylmorpholin-4-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80981350
N-ethyl-6-(2-ethylimidazol-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80992986
5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
CID 80867774
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80867775

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80989279) is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CCc1nc(CC)n(-c2nc(C(C)C)nc(NC)c2C)n1.
What is the InChIKey of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is JWGSPJXBEDVWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-7-11-17-12(8-2)21(20-11)15-10(5)14(16-6)18-13(19-15)9(3)4/h9H,7-8H2,1-6H3,(H,16,18,19).
What are the key properties of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 288.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80989279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).