2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine

C14H9ClF2N4 — CID 178120678

IUPAC2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine
SMILESCc1nc2nc(Cl)nc(-c3cc(F)ccc3F)c2nc1C
InChIInChI=1S/C14H9ClF2N4/c1-6-7(2)19-13-12(18-6)11(20-14(15)21-13)9-5-8(16)3-4-10(9)17/h3-5H,1-2H3
InChIKeySFJFGAHJNTXNOX-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.64
Rot. Bonds1

About 2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine

2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine (PubChem CID 178120678) has the molecular formula C14H9ClF2N4 and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine.

Molecular Properties

Compound Name2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine
PubChem CID178120678
Molecular FormulaC14H9ClF2N4
Molecular Weight306.70 g/mol
Exact Mass306.05
IUPAC Name2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine
SMILESCc1nc2nc(Cl)nc(-c3cc(F)ccc3F)c2nc1C
InChIInChI=1S/C14H9ClF2N4/c1-6-7(2)19-13-12(18-6)11(20-14(15)21-13)9-5-8(16)3-4-10(9)17/h3-5H,1-2H3
InChIKeySFJFGAHJNTXNOX-UHFFFAOYSA-N
XLogP3.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine
CID 157044910
2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine
CID 157045018
2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine
CID 178120625
2-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)-6,7-dimethylpteridine
CID 178120553
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
ethyl 2-chloro-7-cyclopropyl-4-(2,4-difluorophenyl)pteridine-6-carboxylate
CID 166122111
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol
CID 166122294
3,5-dichloro-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304
1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867625

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine?
The IUPAC name of 2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine (CID 178120678) is 2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine.
What is the SMILES notation for 2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine?
The canonical SMILES for 2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine is Cc1nc2nc(Cl)nc(-c3cc(F)ccc3F)c2nc1C.
What is the InChIKey of 2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine?
The InChIKey is SFJFGAHJNTXNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4/c1-6-7(2)19-13-12(18-6)11(20-14(15)21-13)9-5-8(16)3-4-10(9)17/h3-5H,1-2H3.
What are the key properties of 2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine?
2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine has a molecular weight of 306.70 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-difluorophenyl)-6,7-dimethylpteridine is sourced from PubChem (CID 178120678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).