2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H15Cl2N3S — CID 24909324

IUPAC2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CCN(Cc2ccc(Cl)s2)C3)cc1
InChIInChI=1S/C18H15Cl2N3S/c19-14-3-1-12(2-4-14)18-21-9-13-10-23(8-7-16(13)22-18)11-15-5-6-17(20)24-15/h1-6,9H,7-8,10-11H2
InChIKeySAWBNAVSPMNTEA-UHFFFAOYSA-N
MW376.31 g/mol
LogP5.07
Rot. Bonds3

About 2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909324) has the molecular formula C18H15Cl2N3S and a molecular weight of 376.31 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909324
Molecular FormulaC18H15Cl2N3S
Molecular Weight376.31 g/mol
Exact Mass375.04
IUPAC Name2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CCN(Cc2ccc(Cl)s2)C3)cc1
InChIInChI=1S/C18H15Cl2N3S/c19-14-3-1-12(2-4-14)18-21-9-13-10-23(8-7-16(13)22-18)11-15-5-6-17(20)24-15/h1-6,9H,7-8,10-11H2
InChIKeySAWBNAVSPMNTEA-UHFFFAOYSA-N
XLogP5.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911725
6-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909314
4-[5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 24911508
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911740
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911733
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
CID 24916149
2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930012
6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911088
4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 24913461
2-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzene-1,3,5-triol
CID 24928479
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909324) is 2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(-c2ncc3c(n2)CCN(Cc2ccc(Cl)s2)C3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is SAWBNAVSPMNTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3S/c19-14-3-1-12(2-4-14)18-21-9-13-10-23(8-7-16(13)22-18)11-15-5-6-17(20)24-15/h1-6,9H,7-8,10-11H2.
What are the key properties of 2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 376.31 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).