6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine

C26H20F7N5 — CID 58275416

About 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine

6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 58275416) has the molecular formula C26H20F7N5 and a molecular weight of 535.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 58275416
• Molecular Formula: C26H20F7N5
• Molecular Weight: 535.47 g/mol
• Exact Mass: 535.16
• IUPAC Name: 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
• SMILES: Cc1cc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C26H20F7N5/c1-14-10-15(12-17(11-14)25(28,29)30)13-34-23-36-20-7-6-19(16-2-4-18(27)5-3-16)35-21(20)22(37-23)38-24(8-9-24)26(31,32)33/h2-7,10-12H,8-9,13H2,1H3,(H2,34,36,37,38)
• InChIKey: VEQIGDFRWAQNMC-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 62.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.47
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 58275416) is 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine is Cc1cc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc(C(F)(F)F)c1.

What is the InChIKey of 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is VEQIGDFRWAQNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F7N5/c1-14-10-15(12-17(11-14)25(28,29)30)13-34-23-36-20-7-6-19(16-2-4-18(27)5-3-16)35-21(20)22(37-23)38-24(8-9-24)26(31,32)33/h2-7,10-12H,8-9,13H2,1H3,(H2,34,36,37,38).

What are the key properties of 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?

6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 535.47 g/mol, XLogP of 7.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58275416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).