ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate

C19H21ClN2O3 — CID 70261328

IUPACethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1OC1CCCC1
InChIInChI=1S/C19H21ClN2O3/c1-3-24-19(23)16-12(2)21-17(13-8-10-14(20)11-9-13)22-18(16)25-15-6-4-5-7-15/h8-11,15H,3-7H2,1-2H3
InChIKeyUBTDCQWKCMNDHC-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.60
Rot. Bonds5

About ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate

ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate (PubChem CID 70261328) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate
PubChem CID70261328
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Nameethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1OC1CCCC1
InChIInChI=1S/C19H21ClN2O3/c1-3-24-19(23)16-12(2)21-17(13-8-10-14(20)11-9-13)22-18(16)25-15-6-4-5-7-15/h8-11,15H,3-7H2,1-2H3
InChIKeyUBTDCQWKCMNDHC-UHFFFAOYSA-N
XLogP4.60
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate (CID 70261328) is ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1OC1CCCC1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate?
The InChIKey is UBTDCQWKCMNDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-24-19(23)16-12(2)21-17(13-8-10-14(20)11-9-13)22-18(16)25-15-6-4-5-7-15/h8-11,15H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate?
ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate has a molecular weight of 360.84 g/mol, XLogP of 4.60, 5 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-cyclopentyloxy-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 70261328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).