4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine

C12H18N6 — CID 112744136

IUPAC4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(-c2ncnn2CC)n1
InChIInChI=1S/C12H18N6/c1-4-6-13-12-14-7-9(3)10(17-12)11-15-8-16-18(11)5-2/h7-8H,4-6H2,1-3H3,(H,13,14,17)
InChIKeyKGBSFPDMQJRSAH-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.89
Rot. Bonds5

About 4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine

4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 112744136) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID112744136
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(-c2ncnn2CC)n1
InChIInChI=1S/C12H18N6/c1-4-6-13-12-14-7-9(3)10(17-12)11-15-8-16-18(11)5-2/h7-8H,4-6H2,1-3H3,(H,13,14,17)
InChIKeyKGBSFPDMQJRSAH-UHFFFAOYSA-N
XLogP1.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine (CID 112744136) is 4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(-c2ncnn2CC)n1.
What is the InChIKey of 4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is KGBSFPDMQJRSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-6-13-12-14-7-9(3)10(17-12)11-15-8-16-18(11)5-2/h7-8H,4-6H2,1-3H3,(H,13,14,17).
What are the key properties of 4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine?
4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 246.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 112744136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).