6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine

C25H18F4N6S — CID 69033252

IUPAC6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine
SMILESFc1ccc(-c2cnc3nc(NCc4csc(-c5ccccc5)c4)nc(NCC(F)(F)F)c3n2)cc1
InChIInChI=1S/C25H18F4N6S/c26-18-8-6-16(7-9-18)19-12-30-22-21(33-19)23(32-14-25(27,28)29)35-24(34-22)31-11-15-10-20(36-13-15)17-4-2-1-3-5-17/h1-10,12-13H,11,14H2,(H2,30,31,32,34,35)
InChIKeyCGSKHEVXLUBRJQ-UHFFFAOYSA-N
MW510.52 g/mol
LogP6.54
Rot. Bonds7

About 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine

6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine (PubChem CID 69033252) has the molecular formula C25H18F4N6S and a molecular weight of 510.52 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine
PubChem CID69033252
Molecular FormulaC25H18F4N6S
Molecular Weight510.52 g/mol
Exact Mass510.12
IUPAC Name6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine
SMILESFc1ccc(-c2cnc3nc(NCc4csc(-c5ccccc5)c4)nc(NCC(F)(F)F)c3n2)cc1
InChIInChI=1S/C25H18F4N6S/c26-18-8-6-16(7-9-18)19-12-30-22-21(33-19)23(32-14-25(27,28)29)35-24(34-22)31-11-15-10-20(36-13-15)17-4-2-1-3-5-17/h1-10,12-13H,11,14H2,(H2,30,31,32,34,35)
InChIKeyCGSKHEVXLUBRJQ-UHFFFAOYSA-N
XLogP6.54
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine 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

2-N-[(3-bromophenyl)methyl]-6-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine
CID 69033240
6-(4-fluorophenyl)-2-N-[[3-(phenoxymethyl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine
CID 69035271
6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine
CID 58016703
6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine
CID 57445971
4-(1-aminoethyl)benzenesulfonamide;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;4-[1-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]ethyl]benzenesulfonamide;methane
CID 161378381
2-chloro-5-[2-[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 67163408
4-[[[8-(4-fluorophenyl)-5-(2,2,2-trifluoroethylamino)-7λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1(6),2,4,7,9-pentaen-3-yl]amino]methyl]benzenesulfonamide
CID 143706583
4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine
CID 25007510
[4-[2-[(4-sulfamoylphenyl)methylamino]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamic acid
CID 69319720
2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933264
4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 59828852
4-N-[(4-fluorophenyl)methyl]-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937000

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine?
The IUPAC name of 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine (CID 69033252) is 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine?
The canonical SMILES for 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine is Fc1ccc(-c2cnc3nc(NCc4csc(-c5ccccc5)c4)nc(NCC(F)(F)F)c3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine?
The InChIKey is CGSKHEVXLUBRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N6S/c26-18-8-6-16(7-9-18)19-12-30-22-21(33-19)23(32-14-25(27,28)29)35-24(34-22)31-11-15-10-20(36-13-15)17-4-2-1-3-5-17/h1-10,12-13H,11,14H2,(H2,30,31,32,34,35).
What are the key properties of 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine?
6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine has a molecular weight of 510.52 g/mol, XLogP of 6.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-N-[(5-phenylthiophen-3-yl)methyl]-4-N-(2,2,2-trifluoroethyl)pteridine-2,4-diamine is sourced from PubChem (CID 69033252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).