6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine

C30H28F4N10 — CID 91399273

About 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine

6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 91399273) has the molecular formula C30H28F4N10 and a molecular weight of 604.62 g/mol. Its IUPAC name is 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 91399273
• Molecular Formula: C30H28F4N10
• Molecular Weight: 604.62 g/mol
• Exact Mass: 604.24
• IUPAC Name: 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
• SMILES: CC(C)(Nc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3cnc(NC4CC4)c(F)c3)ccc2n1)c1ccc(-n2cncn2)cc1
• InChI: InChI=1S/C30H28F4N10/c1-28(2,18-3-7-20(8-4-18)44-16-35-15-37-44)43-27-40-23-10-9-22(17-13-21(31)25(36-14-17)38-19-5-6-19)39-24(23)26(41-27)42-29(11-12-29)30(32,33)34/h3-4,7-10,13-16,19H,5-6,11-12H2,1-2H3,(H,36,38)(H2,40,41,42,43)
• InChIKey: MCGQQINTRCFIQG-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 118.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.62
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 91399273) is 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine is CC(C)(Nc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3cnc(NC4CC4)c(F)c3)ccc2n1)c1ccc(-n2cncn2)cc1.

What is the InChIKey of 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is MCGQQINTRCFIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F4N10/c1-28(2,18-3-7-20(8-4-18)44-16-35-15-37-44)43-27-40-23-10-9-22(17-13-21(31)25(36-14-17)38-19-5-6-19)39-24(23)26(41-27)42-29(11-12-29)30(32,33)34/h3-4,7-10,13-16,19H,5-6,11-12H2,1-2H3,(H,36,38)(H2,40,41,42,43).

What are the key properties of 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?

6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 604.62 g/mol, XLogP of 6.23, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 91399273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).