6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine

C11H16N6 — CID 80654333

IUPAC6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1cc(C)nc(Cn2cncn2)n1
InChIInChI=1S/C11H16N6/c1-3-4-13-10-5-9(2)15-11(16-10)6-17-8-12-7-14-17/h5,7-8H,3-4,6H2,1-2H3,(H,13,15,16)
InChIKeyYLARTUZVWSMZCD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.25
Rot. Bonds5

About 6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine

6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine (PubChem CID 80654333) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
PubChem CID80654333
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1cc(C)nc(Cn2cncn2)n1
InChIInChI=1S/C11H16N6/c1-3-4-13-10-5-9(2)15-11(16-10)6-17-8-12-7-14-17/h5,7-8H,3-4,6H2,1-2H3,(H,13,15,16)
InChIKeyYLARTUZVWSMZCD-UHFFFAOYSA-N
XLogP1.25
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine
CID 80655682
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
CID 80664132
2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
CID 126821803
2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80654507
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657242
3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 80655042
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 81464110
1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]azocan-2-one
CID 80663824
6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine (CID 80654333) is 6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine is CCCNc1cc(C)nc(Cn2cncn2)n1.
What is the InChIKey of 6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine?
The InChIKey is YLARTUZVWSMZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-4-13-10-5-9(2)15-11(16-10)6-17-8-12-7-14-17/h5,7-8H,3-4,6H2,1-2H3,(H,13,15,16).
What are the key properties of 6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine?
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80654333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).