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

C13H11F2N3 — CID 58378133

IUPAC4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFc1ccc(-c2ncnc3c2CCNC3)c(F)c1
InChIInChI=1S/C13H11F2N3/c14-8-1-2-9(11(15)5-8)13-10-3-4-16-6-12(10)17-7-18-13/h1-2,5,7,16H,3-4,6H2
InChIKeyNLKNXLYPJFTXFB-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.07
Rot. Bonds1

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

4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 58378133) has the molecular formula C13H11F2N3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID58378133
Molecular FormulaC13H11F2N3
Molecular Weight247.25 g/mol
Exact Mass247.09
IUPAC Name4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFc1ccc(-c2ncnc3c2CCNC3)c(F)c1
InChIInChI=1S/C13H11F2N3/c14-8-1-2-9(11(15)5-8)13-10-3-4-16-6-12(10)17-7-18-13/h1-2,5,7,16H,3-4,6H2
InChIKeyNLKNXLYPJFTXFB-UHFFFAOYSA-N
XLogP2.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223655
4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 83850035
4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 83848903
3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
CID 147005051
4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82297355
4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 66969187
4-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83850243
4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 79023920
2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742194
2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742596
4-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 82043853
2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 58378133) is 4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Fc1ccc(-c2ncnc3c2CCNC3)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is NLKNXLYPJFTXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3/c14-8-1-2-9(11(15)5-8)13-10-3-4-16-6-12(10)17-7-18-13/h1-2,5,7,16H,3-4,6H2.
What are the key properties of 4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 247.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 58378133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).