ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate

C20H24N2O2 — CID 170442146

IUPACethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccc(C3(C)CC3)cc2)nc1CC
InChIInChI=1S/C20H24N2O2/c1-5-16-17(19(23)24-6-2)13(3)21-18(22-16)14-7-9-15(10-8-14)20(4)11-12-20/h7-10H,5-6,11-12H2,1-4H3
InChIKeyRVEBZDSARIERLD-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.24
Rot. Bonds5

About ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate

ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate (PubChem CID 170442146) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate
PubChem CID170442146
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Nameethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccc(C3(C)CC3)cc2)nc1CC
InChIInChI=1S/C20H24N2O2/c1-5-16-17(19(23)24-6-2)13(3)21-18(22-16)14-7-9-15(10-8-14)20(4)11-12-20/h7-10H,5-6,11-12H2,1-4H3
InChIKeyRVEBZDSARIERLD-UHFFFAOYSA-N
XLogP4.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate
CID 155338243
lithium;4-amino-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylic acid;ethyl 4-amino-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate;methane;hydroxide;hydrate
CID 165020856
ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 70260877
ethyl 2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethylpyrimidine-5-carboxylate
CID 70260274
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 3-(1-methylcyclopropyl)benzoate
CID 163599215
ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate
CID 70261328
ethyl 4-amino-2-(3-bromo-4-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 107916076
ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 1035315
CID 154709525
CID 154709525
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
ethyl 2-(1,1-dimethyl-2,3-dihydroinden-5-yl)-4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-5-carboxylate
CID 164760997

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate (CID 170442146) is ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2ccc(C3(C)CC3)cc2)nc1CC.
What is the InChIKey of ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate?
The InChIKey is RVEBZDSARIERLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-5-16-17(19(23)24-6-2)13(3)21-18(22-16)14-7-9-15(10-8-14)20(4)11-12-20/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate?
ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 170442146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).