[2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate

C16H17ClN2O4 — CID 68875106

IUPAC[2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate
SMILESCCCc1nc(-c2ccc(Cl)cc2)nc(OCC)c1OC(=O)O
InChIInChI=1S/C16H17ClN2O4/c1-3-5-12-13(23-16(20)21)15(22-4-2)19-14(18-12)10-6-8-11(17)9-7-10/h6-9H,3-5H2,1-2H3,(H,20,21)
InChIKeyHDQHWJSBNMTHEM-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.20
Rot. Bonds6

About [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate

[2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate (PubChem CID 68875106) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate
PubChem CID68875106
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name[2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate
SMILESCCCc1nc(-c2ccc(Cl)cc2)nc(OCC)c1OC(=O)O
InChIInChI=1S/C16H17ClN2O4/c1-3-5-12-13(23-16(20)21)15(22-4-2)19-14(18-12)10-6-8-11(17)9-7-10/h6-9H,3-5H2,1-2H3,(H,20,21)
InChIKeyHDQHWJSBNMTHEM-UHFFFAOYSA-N
XLogP4.20
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-(pentan-3-yloxy)pyrimidine
CID 24971237
2-[6-Amino-2-(3-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704951
2-[6-Amino-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704965
[5-(2,4-dichlorophenoxy)-6-methyl-2-phenylpyrimidin-4-yl] N,N-dimethylcarbamate
CID 2745085
[6-Amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidin-4-yl] hydrogen carbonate
CID 121331862
5-[(4-Chloro-2-fluorophenyl)methyl]-4-ethoxy-6-ethylpyrimidine-2-carboxylic acid
CID 135202611
5-[(4-Chloro-2-fluorophenyl)methyl]-4-ethoxy-6-propylpyrimidine-2-carboxylic acid
CID 135202620
5-[(2-Chlorophenyl)methyl]-4-ethyl-6-(3-fluoropropoxy)pyrimidine-2-carboxylic acid
CID 135202745
Ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-4-yl]oxyacetate
CID 143876501
5-[(4-Chloro-2-fluorophenyl)methyl]-4-ethoxy-6-methylpyrimidine-2-carboxylic acid
CID 146222449
2-[[2-(4-Chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]oxy]acetic acid
CID 17761937
[2-(4-Chlorophenyl)-4-ethyl-6-pentan-3-ylpyrimidin-5-yl] hydrogen carbonate
CID 68874039

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate?
The IUPAC name of [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate (CID 68875106) is [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate.
What is the SMILES notation for [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate?
The canonical SMILES for [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate is CCCc1nc(-c2ccc(Cl)cc2)nc(OCC)c1OC(=O)O.
What is the InChIKey of [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate?
The InChIKey is HDQHWJSBNMTHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-3-5-12-13(23-16(20)21)15(22-4-2)19-14(18-12)10-6-8-11(17)9-7-10/h6-9H,3-5H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate?
[2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate has a molecular weight of 336.78 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4-ethoxy-6-propylpyrimidin-5-yl] hydrogen carbonate is sourced from PubChem (CID 68875106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).