methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate

C15H15N3O3 — CID 118410954

IUPACmethyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2cccc(C)c2)ncn1
InChIInChI=1S/C15H15N3O3/c1-10-4-3-5-11(6-10)8-16-14(19)12-7-13(15(20)21-2)18-9-17-12/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyAPVKLCOSYNNYCL-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.50
Rot. Bonds4

About methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate

methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate (PubChem CID 118410954) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
PubChem CID118410954
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2cccc(C)c2)ncn1
InChIInChI=1S/C15H15N3O3/c1-10-4-3-5-11(6-10)8-16-14(19)12-7-13(15(20)21-2)18-9-17-12/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyAPVKLCOSYNNYCL-UHFFFAOYSA-N
XLogP1.50
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
4-N-[(3-fluorophenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 157090160
methyl 4-[dideuterio-[[6-[[dideuterio-(3-methylphenyl)methyl]carbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoate
CID 118410967
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347151
N-[(3-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109347230
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
N-[(3-methylphenyl)methyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109347173
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
N-[(3-methylphenyl)methyl]-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109347229

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate (CID 118410954) is methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate is COC(=O)c1cc(C(=O)NCc2cccc(C)c2)ncn1.
What is the InChIKey of methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate?
The InChIKey is APVKLCOSYNNYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-4-3-5-11(6-10)8-16-14(19)12-7-13(15(20)21-2)18-9-17-12/h3-7,9H,8H2,1-2H3,(H,16,19).
What are the key properties of methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate?
methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 118410954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).