5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

C12H18N6 — CID 62192497

IUPAC5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2ncn[nH]2)nc(C)c1CC
InChIInChI=1S/C12H18N6/c1-4-6-13-10-9(5-2)8(3)16-12(17-10)11-14-7-15-18-11/h7H,4-6H2,1-3H3,(H,13,16,17)(H,14,15,18)
InChIKeyDFAANTAZDFQVCZ-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.95
Rot. Bonds5

About 5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (PubChem CID 62192497) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
PubChem CID62192497
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2ncn[nH]2)nc(C)c1CC
InChIInChI=1S/C12H18N6/c1-4-6-13-10-9(5-2)8(3)16-12(17-10)11-14-7-15-18-11/h7H,4-6H2,1-3H3,(H,13,16,17)(H,14,15,18)
InChIKeyDFAANTAZDFQVCZ-UHFFFAOYSA-N
XLogP1.95
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (CID 62192497) is 5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is CCCNc1nc(-c2ncn[nH]2)nc(C)c1CC.
What is the InChIKey of 5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The InChIKey is DFAANTAZDFQVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-6-13-10-9(5-2)8(3)16-12(17-10)11-14-7-15-18-11/h7H,4-6H2,1-3H3,(H,13,16,17)(H,14,15,18).
What are the key properties of 5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 62192497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).