ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate

C16H18N2O3 — CID 102972511

IUPACethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(OC)c2ccccc2)nc1C
InChIInChI=1S/C16H18N2O3/c1-4-21-16(19)13-10-17-15(18-11(13)2)14(20-3)12-8-6-5-7-9-12/h5-10,14H,4H2,1-3H3
InChIKeyVDZPEZCXYBFVPS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.70
Rot. Bonds5

About ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate

ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate (PubChem CID 102972511) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate
PubChem CID102972511
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(OC)c2ccccc2)nc1C
InChIInChI=1S/C16H18N2O3/c1-4-21-16(19)13-10-17-15(18-11(13)2)14(20-3)12-8-6-5-7-9-12/h5-10,14H,4H2,1-3H3
InChIKeyVDZPEZCXYBFVPS-UHFFFAOYSA-N
XLogP2.70
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
2-[ethoxy(phenyl)methyl]-4-ethylpyrimidine-5-carboxylic acid
CID 116775115
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate
CID 55037618
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 2-[(2-fluorophenyl)sulfanylmethyl]-4-methylpyrimidine-5-carboxylate
CID 102972384
ethyl 2-[1-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-methylpyrimidine-5-carboxylate
CID 59993233
ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate
CID 102972459
ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate
CID 75400034
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate (CID 102972511) is ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(OC)c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate?
The InChIKey is VDZPEZCXYBFVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-21-16(19)13-10-17-15(18-11(13)2)14(20-3)12-8-6-5-7-9-12/h5-10,14H,4H2,1-3H3.
What are the key properties of ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate?
ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).