methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate

C11H14N6O2 — CID 66287047

IUPACmethyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2nncn2C)n1
InChIInChI=1S/C11H14N6O2/c1-7-4-8(15-10(14-7)11(18)19-3)12-5-9-16-13-6-17(9)2/h4,6H,5H2,1-3H3,(H,12,14,15)
InChIKeyVMDUNWBVECDEPE-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.31
Rot. Bonds4

About methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate

methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate (PubChem CID 66287047) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate
PubChem CID66287047
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Namemethyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2nncn2C)n1
InChIInChI=1S/C11H14N6O2/c1-7-4-8(15-10(14-7)11(18)19-3)12-5-9-16-13-6-17(9)2/h4,6H,5H2,1-3H3,(H,12,14,15)
InChIKeyVMDUNWBVECDEPE-UHFFFAOYSA-N
XLogP0.31
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate 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 methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate (CID 66287047) is methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCc2nncn2C)n1.
What is the InChIKey of methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate?
The InChIKey is VMDUNWBVECDEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-7-4-8(15-10(14-7)11(18)19-3)12-5-9-16-13-6-17(9)2/h4,6H,5H2,1-3H3,(H,12,14,15).
What are the key properties of methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate?
methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66287047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).