methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate

C10H12N6O2 — CID 66286437

IUPACmethyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2ncn[nH]2)n1
InChIInChI=1S/C10H12N6O2/c1-6-3-7(11-4-8-12-5-13-16-8)15-9(14-6)10(17)18-2/h3,5H,4H2,1-2H3,(H,11,14,15)(H,12,13,16)
InChIKeyBGGAVHBMAGLLAJ-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.30
Rot. Bonds4

About methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate (PubChem CID 66286437) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate
PubChem CID66286437
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Namemethyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2ncn[nH]2)n1
InChIInChI=1S/C10H12N6O2/c1-6-3-7(11-4-8-12-5-13-16-8)15-9(14-6)10(17)18-2/h3,5H,4H2,1-2H3,(H,11,14,15)(H,12,13,16)
InChIKeyBGGAVHBMAGLLAJ-UHFFFAOYSA-N
XLogP0.30
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193105
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
CID 107232375
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate
CID 66287616
methyl 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66286050
methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284656
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925
methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66287055
methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate
CID 66287047

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate (CID 66286437) is methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCc2ncn[nH]2)n1.
What is the InChIKey of methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate?
The InChIKey is BGGAVHBMAGLLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-6-3-7(11-4-8-12-5-13-16-8)15-9(14-6)10(17)18-2/h3,5H,4H2,1-2H3,(H,11,14,15)(H,12,13,16).
What are the key properties of methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate has a molecular weight of 248.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66286437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).