ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate

C16H18N2O2 — CID 139241104

IUPACethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(CC)nc1-c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-4-13-17-11(3)14(16(19)20-5-2)15(18-13)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChIKeyWDNRQPHLVILKCA-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.19
Rot. Bonds4

About ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate

ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate (PubChem CID 139241104) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
PubChem CID139241104
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(CC)nc1-c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-4-13-17-11(3)14(16(19)20-5-2)15(18-13)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChIKeyWDNRQPHLVILKCA-UHFFFAOYSA-N
XLogP3.19
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-decyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241116
CID 154709525
CID 154709525
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 71660499
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839
ethyl 2-(3-hydroxypropylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 53306075
ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 122401115
5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
CID 10853649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate (CID 139241104) is ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(CC)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is WDNRQPHLVILKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-13-17-11(3)14(16(19)20-5-2)15(18-13)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate?
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 139241104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).