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

C18H19ClN2O2 — CID 155338243

IUPACethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccc(C3(C)CC3)cc2)nc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-4-23-17(22)14-11(2)20-16(21-15(14)19)12-5-7-13(8-6-12)18(3)9-10-18/h5-8H,4,9-10H2,1-3H3
InChIKeyPXYHQBXYXXBQHI-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.33
Rot. Bonds4

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

ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate (PubChem CID 155338243) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate
PubChem CID155338243
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Nameethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccc(C3(C)CC3)cc2)nc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-4-23-17(22)14-11(2)20-16(21-15(14)19)12-5-7-13(8-6-12)18(3)9-10-18/h5-8H,4,9-10H2,1-3H3
InChIKeyPXYHQBXYXXBQHI-UHFFFAOYSA-N
XLogP4.33
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-ethyl-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate
CID 170442146
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-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 118348302
ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate
CID 70261328
ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 4-amino-2-(3-bromo-4-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 107916076
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 3-(1-methylcyclopropyl)benzoate
CID 163599215
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 1035315

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate (CID 155338243) is ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2ccc(C3(C)CC3)cc2)nc1Cl.
What is the InChIKey of ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate?
The InChIKey is PXYHQBXYXXBQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-4-23-17(22)14-11(2)20-16(21-15(14)19)12-5-7-13(8-6-12)18(3)9-10-18/h5-8H,4,9-10H2,1-3H3.
What are the key properties of ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate?
ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate has a molecular weight of 330.82 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 155338243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).