ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate

C20H23ClN2O3 — CID 70256806

IUPACethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(OCC2CC2)nc(-c2ccc(Cl)cc2)nc1C(C)C
InChIInChI=1S/C20H23ClN2O3/c1-4-25-20(24)16-17(12(2)3)22-18(14-7-9-15(21)10-8-14)23-19(16)26-11-13-5-6-13/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyAEDDYEWFXJMTKV-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.89
Rot. Bonds7

About ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate

ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate (PubChem CID 70256806) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate
PubChem CID70256806
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Nameethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(OCC2CC2)nc(-c2ccc(Cl)cc2)nc1C(C)C
InChIInChI=1S/C20H23ClN2O3/c1-4-25-20(24)16-17(12(2)3)22-18(14-7-9-15(21)10-8-14)23-19(16)26-11-13-5-6-13/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyAEDDYEWFXJMTKV-UHFFFAOYSA-N
XLogP4.89
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate
CID 70261328
2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid
CID 68878276
ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-propylpyrimidine-5-carboxylate
CID 70260242
ethyl 2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethylpyrimidine-5-carboxylate
CID 70260274
ethyl 4-chloro-2-propan-2-ylpyridine-3-carboxylate
CID 59589379
ethyl 4-(4-acetylpiperazine-1-carbonyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate
CID 3984687
ethyl 2-(4-chlorophenyl)-4-propylpyrimidine-5-carboxylate
CID 102972636
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159888
ethyl 2-(3-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102973010
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
ethyl 3-(4-chlorophenyl)-5-(cyclopropanecarbonylamino)-1,2-oxazole-4-carboxylate
CID 108742821

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate (CID 70256806) is ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1c(OCC2CC2)nc(-c2ccc(Cl)cc2)nc1C(C)C.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate?
The InChIKey is AEDDYEWFXJMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-4-25-20(24)16-17(12(2)3)22-18(14-7-9-15(21)10-8-14)23-19(16)26-11-13-5-6-13/h7-10,12-13H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate?
ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate has a molecular weight of 374.87 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 70256806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).