N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine

C15H16N6 — CID 944114

IUPACN-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2n[nH]c(Cc3ccccc3)n2)n1
InChIInChI=1S/C15H16N6/c1-10-8-11(2)17-14(16-10)19-15-18-13(20-21-15)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKeyUDOHAMYUPWYFIX-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.55
Rot. Bonds4

About N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine

N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 944114) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
PubChem CID944114
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC NameN-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2n[nH]c(Cc3ccccc3)n2)n1
InChIInChI=1S/C15H16N6/c1-10-8-11(2)17-14(16-10)19-15-18-13(20-21-15)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKeyUDOHAMYUPWYFIX-UHFFFAOYSA-N
XLogP2.55
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Enmd-2076
CID 16041424
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
Ferimzone
CID 9013425
6-Methyl-1H-pyrazolo(3,4-b)pyridin-3-amine
CID 768687
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
2-(Methylthio)-7-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819177
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
CID 25138072
2-(4-((4-((5-Cyclopropyl-1H-pyrazol-3-yl)amino)-6-methylpyrimidin-2-yl)amino)phenyl)acetonitrile
CID 45111335
2-(1,1-Difluoroethyl)-5-Methyl-N-[4-(Trifluoromethyl)phenyl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 51349276

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine (CID 944114) is N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2n[nH]c(Cc3ccccc3)n2)n1.
What is the InChIKey of N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is UDOHAMYUPWYFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-10-8-11(2)17-14(16-10)19-15-18-13(20-21-15)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,16,17,18,19,20,21).
What are the key properties of N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine?
N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 280.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 944114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).