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

C15H15F2N3 — CID 114742194

IUPAC2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(Cc2ccc(F)cc2F)nc2c1CCNC2
InChIInChI=1S/C15H15F2N3/c1-9-12-4-5-18-8-14(12)20-15(19-9)6-10-2-3-11(16)7-13(10)17/h2-3,7,18H,4-6,8H2,1H3
InChIKeyFOJZSYRVKAITFO-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.30
Rot. Bonds2

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

2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742194) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742194
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(Cc2ccc(F)cc2F)nc2c1CCNC2
InChIInChI=1S/C15H15F2N3/c1-9-12-4-5-18-8-14(12)20-15(19-9)6-10-2-3-11(16)7-13(10)17/h2-3,7,18H,4-6,8H2,1H3
InChIKeyFOJZSYRVKAITFO-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742125
1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 64561232
2-[(2,4-dichlorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740211
[2-[(2,4-difluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 64559876
2-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 64561223
2-[(3-fluorophenyl)methyl]-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742588
2-[(2-chloro-4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941470
4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737875
2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740167
2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742596
2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740025
4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole
CID 90396848

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742194) is 2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Cc1nc(Cc2ccc(F)cc2F)nc2c1CCNC2.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is FOJZSYRVKAITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-9-12-4-5-18-8-14(12)20-15(19-9)6-10-2-3-11(16)7-13(10)17/h2-3,7,18H,4-6,8H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 275.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).