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

C16H17ClFN3 — CID 114739485

IUPAC2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCc1nc(-c2ccc(F)cc2Cl)nc2c1CNCC2
InChIInChI=1S/C16H17ClFN3/c1-2-3-14-12-9-19-7-6-15(12)21-16(20-14)11-5-4-10(18)8-13(11)17/h4-5,8,19H,2-3,6-7,9H2,1H3
InChIKeySIHMNOOYURZYAC-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.53
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739485) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739485
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCc1nc(-c2ccc(F)cc2Cl)nc2c1CNCC2
InChIInChI=1S/C16H17ClFN3/c1-2-3-14-12-9-19-7-6-15(12)21-16(20-14)11-5-4-10(18)8-13(11)17/h4-5,8,19H,2-3,6-7,9H2,1H3
InChIKeySIHMNOOYURZYAC-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739485) is 2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCCc1nc(-c2ccc(F)cc2Cl)nc2c1CNCC2.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is SIHMNOOYURZYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3/c1-2-3-14-12-9-19-7-6-15(12)21-16(20-14)11-5-4-10(18)8-13(11)17/h4-5,8,19H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 305.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).