4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C15H15ClN2O2 — CID 106470799

IUPAC4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCCOc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-11-5-3-10(4-6-11)15-17-13-7-8-19-9-12(13)14(16)18-15/h3-6H,2,7-9H2,1H3
InChIKeyOVBOCIMBHPUYGO-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.27
Rot. Bonds3

About 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470799) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470799
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCCOc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-11-5-3-10(4-6-11)15-17-13-7-8-19-9-12(13)14(16)18-15/h3-6H,2,7-9H2,1H3
InChIKeyOVBOCIMBHPUYGO-UHFFFAOYSA-N
XLogP3.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine 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

4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106847815
2-(3-ethoxyphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472247
4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470587
4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline
CID 61382229
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090
2-(4-chloro-3-fluorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472729
4-chloro-2-(2,4-dichlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470760
4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470756
1-(4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 106470539
4-chloro-2-quinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470805
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472694
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
CID 63612833

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470799) is 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is CCOc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1.
What is the InChIKey of 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is OVBOCIMBHPUYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-20-11-5-3-10(4-6-11)15-17-13-7-8-19-9-12(13)14(16)18-15/h3-6H,2,7-9H2,1H3.
What are the key properties of 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 290.75 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).