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

C9H12N6 — CID 62191018

IUPAC5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ncn[nH]2)nc1N
InChIInChI=1S/C9H12N6/c1-3-6-5(2)13-9(14-7(6)10)8-11-4-12-15-8/h4H,3H2,1-2H3,(H2,10,13,14)(H,11,12,15)
InChIKeyDHBFYMWSQUKYNC-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.71
Rot. Bonds2

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

5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (PubChem CID 62191018) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
PubChem CID62191018
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ncn[nH]2)nc1N
InChIInChI=1S/C9H12N6/c1-3-6-5(2)13-9(14-7(6)10)8-11-4-12-15-8/h4H,3H2,1-2H3,(H2,10,13,14)(H,11,12,15)
InChIKeyDHBFYMWSQUKYNC-UHFFFAOYSA-N
XLogP0.71
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.71
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-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (CID 62191018) is 5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is CCc1c(C)nc(-c2ncn[nH]2)nc1N.
What is the InChIKey of 5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The InChIKey is DHBFYMWSQUKYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-3-6-5(2)13-9(14-7(6)10)8-11-4-12-15-8/h4H,3H2,1-2H3,(H2,10,13,14)(H,11,12,15).
What are the key properties of 5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine has a molecular weight of 204.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 62191018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).