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

C15H15BrFN3 — CID 107924850

IUPAC2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2cc(F)ccc2Br)nc2c1CCNC2
InChIInChI=1S/C15H15BrFN3/c1-2-13-10-5-6-18-8-14(10)20-15(19-13)11-7-9(17)3-4-12(11)16/h3-4,7,18H,2,5-6,8H2,1H3
InChIKeyMBMBGAAXMLUPAK-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.25
Rot. Bonds2

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

2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 107924850) has the molecular formula C15H15BrFN3 and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID107924850
Molecular FormulaC15H15BrFN3
Molecular Weight336.21 g/mol
Exact Mass335.04
IUPAC Name2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2cc(F)ccc2Br)nc2c1CCNC2
InChIInChI=1S/C15H15BrFN3/c1-2-13-10-5-6-18-8-14(10)20-15(19-13)11-7-9(17)3-4-12(11)16/h3-4,7,18H,2,5-6,8H2,1H3
InChIKeyMBMBGAAXMLUPAK-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107283053
2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742596
2-(3-bromo-4-methylphenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107916117
2-(2-bromo-5-fluorophenyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 107924841
2-(5-bromothiophen-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742469
2-(4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742681
4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459
2-(3,4-dichlorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742556
2-(2-bromo-5-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114016466
2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739485
2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743090
2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742542

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 107924850) is 2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCc1nc(-c2cc(F)ccc2Br)nc2c1CCNC2.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is MBMBGAAXMLUPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3/c1-2-13-10-5-6-18-8-14(10)20-15(19-13)11-7-9(17)3-4-12(11)16/h3-4,7,18H,2,5-6,8H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 336.21 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 107924850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).