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

C17H20FN3 — CID 114742596

IUPAC2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(-c2ccc(F)cc2C)nc2c1CCNC2
InChIInChI=1S/C17H20FN3/c1-3-4-15-14-7-8-19-10-16(14)21-17(20-15)13-6-5-12(18)9-11(13)2/h5-6,9,19H,3-4,7-8,10H2,1-2H3
InChIKeyLIRWXEXWLGHTAZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.19
Rot. Bonds3

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

2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742596) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742596
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(-c2ccc(F)cc2C)nc2c1CCNC2
InChIInChI=1S/C17H20FN3/c1-3-4-15-14-7-8-19-10-16(14)21-17(20-15)13-6-5-12(18)9-11(13)2/h5-6,9,19H,3-4,7-8,10H2,1-2H3
InChIKeyLIRWXEXWLGHTAZ-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.19
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-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742681
2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739485
2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742718
2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107924850
2-(2,6-dimethyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107504809
2-[(3-fluorophenyl)methyl]-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742588
2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742712
2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742569
2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743090
2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740085
2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742724

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742596) is 2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCCc1nc(-c2ccc(F)cc2C)nc2c1CCNC2.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is LIRWXEXWLGHTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-3-4-15-14-7-8-19-10-16(14)21-17(20-15)13-6-5-12(18)9-11(13)2/h5-6,9,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 285.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).