N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C107H104F4N24O — CID 165111373

About N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 165111373) has the molecular formula C107H104F4N24O and a molecular weight of 1818.17 g/mol. Its IUPAC name is N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 165111373
• Molecular Formula: C107H104F4N24O
• Molecular Weight: 1818.17 g/mol
• Exact Mass: 1816.88
• IUPAC Name: N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)Nc1nc(-c2ccccc2)nc2[nH]c(-c3ccccc3)cc12.CC(C)Nc1nc(-c2ccccc2)nc2[nH]c(C(C)(F)F)cc12.Cc1cc2c(NC3CC3)nc(-c3ccc(O)cc3)nc2[nH]1.Cc1cc2c(NC3CCC3)nc(-c3ccccc3F)nc2[nH]1.Cc1cc2c(Nc3ccccc3)nc(-c3ccccc3F)nc2[nH]1.Cc1ccc(-c2nc(NC3CC3)c3cc(C)[nH]c3n2)cc1
• InChI: InChI=1S/C21H20N4.C19H15FN4.C17H18F2N4.C17H17FN4.C17H18N4.C16H16N4O/c1-14(2)22-20-17-13-18(15-9-5-3-6-10-15)23-21(17)25-19(24-20)16-11-7-4-8-12-16;1-12-11-15-18(21-12)23-17(14-9-5-6-10-16(14)20)24-19(15)22-13-7-3-2-4-8-13;1-10(2)20-15-12-9-13(17(3,18)19)21-16(12)23-14(22-15)11-7-5-4-6-8-11;1-10-9-13-16(19-10)21-15(12-7-2-3-8-14(12)18)22-17(13)20-11-5-4-6-11;1-10-3-5-12(6-4-10)15-20-16-14(9-11(2)18-16)17(21-15)19-13-7-8-13;1-9-8-13-15(17-9)19-14(10-2-6-12(21)7-3-10)20-16(13)18-11-4-5-11/h3-14H,1-2H3,(H2,22,23,24,25);2-11H,1H3,(H2,21,22,23,24);4-10H,1-3H3,(H2,20,21,22,23);2-3,7-9,11H,4-6H2,1H3,(H2,19,20,21,22);3-6,9,13H,7-8H2,1-2H3,(H2,18,19,20,21);2-3,6-8,11,21H,4-5H2,1H3,(H2,17,18,19,20)
• InChIKey: ZZWPRAMSJXINDQ-UHFFFAOYSA-N
• XLogP: 25.55
• TPSA: 341.83 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1818.17
LogP ≤ 5	25.55
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 165111373) is N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)Nc1nc(-c2ccccc2)nc2[nH]c(-c3ccccc3)cc12.CC(C)Nc1nc(-c2ccccc2)nc2[nH]c(C(C)(F)F)cc12.Cc1cc2c(NC3CC3)nc(-c3ccc(O)cc3)nc2[nH]1.Cc1cc2c(NC3CCC3)nc(-c3ccccc3F)nc2[nH]1.Cc1cc2c(Nc3ccccc3)nc(-c3ccccc3F)nc2[nH]1.Cc1ccc(-c2nc(NC3CC3)c3cc(C)[nH]c3n2)cc1.

What is the InChIKey of N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is ZZWPRAMSJXINDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4.C19H15FN4.C17H18F2N4.C17H17FN4.C17H18N4.C16H16N4O/c1-14(2)22-20-17-13-18(15-9-5-3-6-10-15)23-21(17)25-19(24-20)16-11-7-4-8-12-16;1-12-11-15-18(21-12)23-17(14-9-5-6-10-16(14)20)24-19(15)22-13-7-3-2-4-8-13;1-10(2)20-15-12-9-13(17(3,18)19)21-16(12)23-14(22-15)11-7-5-4-6-8-11;1-10-9-13-16(19-10)21-15(12-7-2-3-8-14(12)18)22-17(13)20-11-5-4-6-11;1-10-3-5-12(6-4-10)15-20-16-14(9-11(2)18-16)17(21-15)19-13-7-8-13;1-9-8-13-15(17-9)19-14(10-2-6-12(21)7-3-10)20-16(13)18-11-4-5-11/h3-14H,1-2H3,(H2,22,23,24,25);2-11H,1H3,(H2,21,22,23,24);4-10H,1-3H3,(H2,20,21,22,23);2-3,7-9,11H,4-6H2,1H3,(H2,19,20,21,22);3-6,9,13H,7-8H2,1-2H3,(H2,18,19,20,21);2-3,6-8,11,21H,4-5H2,1H3,(H2,17,18,19,20).

What are the key properties of N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1818.17 g/mol, XLogP of 25.55, 20 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-2-(2-fluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[4-(cyclopropylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenol;N-cyclopropyl-6-methyl-2-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-(1,1-difluoroethyl)-2-phenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,6-diphenyl-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-fluorophenyl)-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165111373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).