methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate

C14H14N2O3 — CID 102184443

IUPACmethyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C14H14N2O3/c1-9-8-12(14(17)19-3)16-13(15-9)10-4-6-11(18-2)7-5-10/h4-8H,1-3H3
InChIKeyVHQUJBMSBFXSKB-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.25
Rot. Bonds3

About methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate

methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate (PubChem CID 102184443) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate
PubChem CID102184443
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C14H14N2O3/c1-9-8-12(14(17)19-3)16-13(15-9)10-4-6-11(18-2)7-5-10/h4-8H,1-3H3
InChIKeyVHQUJBMSBFXSKB-UHFFFAOYSA-N
XLogP2.25
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate
CID 90960617
4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium
CID 148962655
2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetic acid
CID 53214856
methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455
methyl 6-chloro-4-methoxypyridine-2-carboxylate
CID 45489866
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62745549
methyl 2-chloro-6-(4-methoxyphenyl)pyridine-4-carboxylate
CID 91873021
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
methyl 5-(4-methoxyphenyl)pyrazine-2-carboxylate
CID 91754327
2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117088632
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate (CID 102184443) is methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(-c2ccc(OC)cc2)n1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate?
The InChIKey is VHQUJBMSBFXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-8-12(14(17)19-3)16-13(15-9)10-4-6-11(18-2)7-5-10/h4-8H,1-3H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate?
methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 102184443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).