ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate

C15H17ClN2O3 — CID 142985875

IUPACethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
SMILESCC.CCOC(=O)c1cnc(-c2ccccc2O)nc1Cl
InChIInChI=1S/C13H11ClN2O3.C2H6/c1-2-19-13(18)9-7-15-12(16-11(9)14)8-5-3-4-6-10(8)17;1-2/h3-7,17H,2H2,1H3;1-2H3
InChIKeyNBWRCQXOAZLUGJ-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.71
Rot. Bonds3

About ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate

ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate (PubChem CID 142985875) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
PubChem CID142985875
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Nameethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
SMILESCC.CCOC(=O)c1cnc(-c2ccccc2O)nc1Cl
InChIInChI=1S/C13H11ClN2O3.C2H6/c1-2-19-13(18)9-7-15-12(16-11(9)14)8-5-3-4-6-10(8)17;1-2/h3-7,17H,2H2,1H3;1-2H3
InChIKeyNBWRCQXOAZLUGJ-UHFFFAOYSA-N
XLogP3.71
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate
CID 131528949
ethyl 4-chloro-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 114213771
ethyl 4-chloro-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 114213761
ethyl 2-(5-bromo-3-pyridinyl)-4-chloropyrimidine-5-carboxylate
CID 114213781
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590
ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
CID 163718815
ethyl 4-chloro-2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylate
CID 15564026
ethyl 2-(bromomethyl)-4-(2-chlorophenyl)pyrimidine-5-carboxylate
CID 67125220
ethyl 6-chloro-4-(2-chlorophenyl)pyridine-3-carboxylate
CID 87890311
ethyl 4-chloro-2-(1,1-difluoroethyl)pyrimidine-5-carboxylate
CID 172639270
ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517774

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate?
The IUPAC name of ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate (CID 142985875) is ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate is CC.CCOC(=O)c1cnc(-c2ccccc2O)nc1Cl.
What is the InChIKey of ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate?
The InChIKey is NBWRCQXOAZLUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3.C2H6/c1-2-19-13(18)9-7-15-12(16-11(9)14)8-5-3-4-6-10(8)17;1-2/h3-7,17H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate?
ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate has a molecular weight of 308.77 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 142985875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).