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

C10H14N6 — CID 62192383

IUPACN-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ncn[nH]2)nc(C)c1C
InChIInChI=1S/C10H14N6/c1-4-11-8-6(2)7(3)14-10(15-8)9-12-5-13-16-9/h5H,4H2,1-3H3,(H,11,14,15)(H,12,13,16)
InChIKeyAFBNSYMNMUPJEE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.31
Rot. Bonds3

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

N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (PubChem CID 62192383) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
PubChem CID62192383
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ncn[nH]2)nc(C)c1C
InChIInChI=1S/C10H14N6/c1-4-11-8-6(2)7(3)14-10(15-8)9-12-5-13-16-9/h5H,4H2,1-3H3,(H,11,14,15)(H,12,13,16)
InChIKeyAFBNSYMNMUPJEE-UHFFFAOYSA-N
XLogP1.31
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (CID 62192383) is N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is CCNc1nc(-c2ncn[nH]2)nc(C)c1C.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The InChIKey is AFBNSYMNMUPJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-4-11-8-6(2)7(3)14-10(15-8)9-12-5-13-16-9/h5H,4H2,1-3H3,(H,11,14,15)(H,12,13,16).
What are the key properties of N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine has a molecular weight of 218.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 62192383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).