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

C15H15ClN2OS — CID 106847815

IUPAC4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCCSc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1
InChIInChI=1S/C15H15ClN2OS/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
InChIKeyZGMBDBSLGRFGDK-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.98
Rot. Bonds3

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

4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106847815) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106847815
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCCSc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1
InChIInChI=1S/C15H15ClN2OS/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
InChIKeyZGMBDBSLGRFGDK-UHFFFAOYSA-N
XLogP3.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470799
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472694
4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine
CID 106847790
4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470646
4-chloro-2-(2,4-dichlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470760
1-(4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 106470539
4-chloro-2-quinolin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470570
5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole
CID 106849376
4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
CID 136982295
4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470587
4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470756
2-(3-chlorophenyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472544

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106847815) is 4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is CCSc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1.
What is the InChIKey of 4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is ZGMBDBSLGRFGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/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-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 306.82 g/mol, XLogP of 3.98, 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-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106847815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).