2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C16H17Cl2N3 — CID 114739556

IUPAC2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCc1nc(-c2ccc(Cl)c(Cl)c2)nc2c1CNCC2
InChIInChI=1S/C16H17Cl2N3/c1-2-3-14-11-9-19-7-6-15(11)21-16(20-14)10-4-5-12(17)13(18)8-10/h4-5,8,19H,2-3,6-7,9H2,1H3
InChIKeyMOZGBRIREPXTQC-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.05
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739556) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739556
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCc1nc(-c2ccc(Cl)c(Cl)c2)nc2c1CNCC2
InChIInChI=1S/C16H17Cl2N3/c1-2-3-14-11-9-19-7-6-15(11)21-16(20-14)10-4-5-12(17)13(18)8-10/h4-5,8,19H,2-3,6-7,9H2,1H3
InChIKeyMOZGBRIREPXTQC-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741176
2-(3,4-dichlorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742556
2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738485
2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739485
2-(4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742681
2-(2,6-dimethyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107504809
2-(3,4-dichlorophenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742925
4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738589
2-(3-bromo-4-methylphenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107916117
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742485
2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742596

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739556) is 2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCCc1nc(-c2ccc(Cl)c(Cl)c2)nc2c1CNCC2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is MOZGBRIREPXTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-2-3-14-11-9-19-7-6-15(11)21-16(20-14)10-4-5-12(17)13(18)8-10/h4-5,8,19H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 322.24 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).