7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C99H84F8N32O2 — CID 158455049

About 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine

7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 158455049) has the molecular formula C99H84F8N32O2 and a molecular weight of 1905.97 g/mol. Its IUPAC name is 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

• Compound Name: 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
• PubChem CID: 158455049
• Molecular Formula: C99H84F8N32O2
• Molecular Weight: 1905.97 g/mol
• Exact Mass: 1904.73
• IUPAC Name: 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
• SMILES: COc1ccc(-c2nc(Nc3n[nH]c(C)n3)c3ccccc3n2)c(OC)c1.Cc1nc(Nc2nc(-c3ccc(F)cc3F)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C)nc3ccccc23)n[nH]1.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c(-c4cccnc4)n3)n1)CCCC2.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3ncn[nH]3)n1)CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C23H20F3N7.C22H18F3N7.C19H18N6O2.C18H16N6.C17H12F2N6/c24-23(25,26)18-9-5-4-8-16(18)20-29-19-13-33(12-15-6-2-1-3-7-15)11-10-17(19)21(30-20)31-22-27-14-28-32-22;23-22(24,25)16-9-3-1-7-14(16)19-27-17-10-4-2-8-15(17)20(28-19)30-21-29-18(31-32-21)13-6-5-11-26-12-13;1-11-20-19(25-24-11)23-17-13-6-4-5-7-15(13)21-18(22-17)14-9-8-12(26-2)10-16(14)27-3;1-11-7-3-4-8-13(11)16-20-15-10-6-5-9-14(15)17(21-16)22-18-19-12(2)23-24-18;1-9-20-17(25-24-9)23-16-12-4-2-3-5-14(12)21-15(22-16)11-7-6-10(18)8-13(11)19/h1-9,14H,10-13H2,(H2,27,28,29,30,31,32);1,3,5-7,9,11-12H,2,4,8,10H2,(H2,27,28,29,30,31,32);4-10H,1-3H3,(H2,20,21,22,23,24,25);3-10H,1-2H3,(H2,19,20,21,22,23,24);2-8H,1H3,(H2,20,21,22,23,24,25)
• InChIKey: HELVGBSNUOUQLP-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 431.49 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1905.97
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?

The IUPAC name of 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 158455049) is 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

What is the SMILES notation for 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?

The canonical SMILES for 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine is COc1ccc(-c2nc(Nc3n[nH]c(C)n3)c3ccccc3n2)c(OC)c1.Cc1nc(Nc2nc(-c3ccc(F)cc3F)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C)nc3ccccc23)n[nH]1.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c(-c4cccnc4)n3)n1)CCCC2.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3ncn[nH]3)n1)CCN(Cc1ccccc1)C2.

What is the InChIKey of 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?

The InChIKey is HELVGBSNUOUQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7.C22H18F3N7.C19H18N6O2.C18H16N6.C17H12F2N6/c24-23(25,26)18-9-5-4-8-16(18)20-29-19-13-33(12-15-6-2-1-3-7-15)11-10-17(19)21(30-20)31-22-27-14-28-32-22;23-22(24,25)16-9-3-1-7-14(16)19-27-17-10-4-2-8-15(17)20(28-19)30-21-29-18(31-32-21)13-6-5-11-26-12-13;1-11-20-19(25-24-11)23-17-13-6-4-5-7-15(13)21-18(22-17)14-9-8-12(26-2)10-16(14)27-3;1-11-7-3-4-8-13(11)16-20-15-10-6-5-9-14(15)17(21-16)22-18-19-12(2)23-24-18;1-9-20-17(25-24-9)23-16-12-4-2-3-5-14(12)21-15(22-16)11-7-6-10(18)8-13(11)19/h1-9,14H,10-13H2,(H2,27,28,29,30,31,32);1,3,5-7,9,11-12H,2,4,8,10H2,(H2,27,28,29,30,31,32);4-10H,1-3H3,(H2,20,21,22,23,24,25);3-10H,1-2H3,(H2,19,20,21,22,23,24);2-8H,1H3,(H2,20,21,22,23,24,25).

What are the key properties of 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?

7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 1905.97 g/mol, XLogP of 20.55, 20 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 158455049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).