ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate

C16H18N2O3 — CID 165444834

IUPACethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(COCc2ccccc2)ncc1C
InChIInChI=1S/C16H18N2O3/c1-3-21-16(19)15-12(2)9-17-14(18-15)11-20-10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3
InChIKeyOPNFOOCBFZEOPN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.68
Rot. Bonds6

About ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate

ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate (PubChem CID 165444834) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate
PubChem CID165444834
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(COCc2ccccc2)ncc1C
InChIInChI=1S/C16H18N2O3/c1-3-21-16(19)15-12(2)9-17-14(18-15)11-20-10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3
InChIKeyOPNFOOCBFZEOPN-UHFFFAOYSA-N
XLogP2.68
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
CID 165448403
ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate
CID 165445033
ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate
CID 134964323
ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate
CID 136932103
ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
CID 137320111
ethyl 5-methyl-2-methylsulfonylpyrimidine-4-carboxylate
CID 167884840
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethyl 2-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-4-carboxylate
CID 114244924
ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
CID 90326274
acetic acid;phenylmethoxymethylbenzene
CID 175214238
diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
CID 15404215
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate (CID 165444834) is ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate is CCOC(=O)c1nc(COCc2ccccc2)ncc1C.
What is the InChIKey of ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate?
The InChIKey is OPNFOOCBFZEOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-21-16(19)15-12(2)9-17-14(18-15)11-20-10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate?
ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 165444834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).