5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C70H71Br2F6N21O5 — CID 157284200

About 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 157284200) has the molecular formula C70H71Br2F6N21O5 and a molecular weight of 1560.28 g/mol. Its IUPAC name is 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 157284200
• Molecular Formula: C70H71Br2F6N21O5
• Molecular Weight: 1560.28 g/mol
• Exact Mass: 1557.42
• IUPAC Name: 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
• SMILES: Brc1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CC1.CCc1cc(Nc2ncc(Br)c(NC3CC3)n2)cc(OC)c1OC.CCc1cc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cc(OC)c1OC.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5[nH]ncc5c4)n3)ccc2N1
• InChI: InChI=1S/C21H16F3N7O.C18H21F3N4O2.C17H21BrN4O2.C14H13BrN6/c22-21(23,24)15-10-25-20(28-14-2-4-16-11(7-14)1-6-18(32)29-16)30-19(15)27-13-3-5-17-12(8-13)9-26-31-17;1-4-10-7-12(8-14(26-2)15(10)27-3)24-17-22-9-13(18(19,20)21)16(25-17)23-11-5-6-11;1-4-10-7-12(8-14(23-2)15(10)24-3)21-17-19-9-13(18)16(22-17)20-11-5-6-11;15-11-7-18-14(21-13(11)19-9-1-2-9)20-10-5-8-3-4-16-12(8)17-6-10/h2-5,7-10H,1,6H2,(H,26,31)(H,29,32)(H2,25,27,28,30);7-9,11H,4-6H2,1-3H3,(H2,22,23,24,25);7-9,11H,4-6H2,1-3H3,(H2,19,20,21,22);3-7,9H,1-2H2,(H,16,17)(H2,18,19,20,21)
• InChIKey: BAALXLLINQLDCN-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 322.74 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1560.28
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 157284200) is 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is Brc1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CC1.CCc1cc(Nc2ncc(Br)c(NC3CC3)n2)cc(OC)c1OC.CCc1cc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cc(OC)c1OC.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5[nH]ncc5c4)n3)ccc2N1.

What is the InChIKey of 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is BAALXLLINQLDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7O.C18H21F3N4O2.C17H21BrN4O2.C14H13BrN6/c22-21(23,24)15-10-25-20(28-14-2-4-16-11(7-14)1-6-18(32)29-16)30-19(15)27-13-3-5-17-12(8-13)9-26-31-17;1-4-10-7-12(8-14(26-2)15(10)27-3)24-17-22-9-13(18(19,20)21)16(25-17)23-11-5-6-11;1-4-10-7-12(8-14(23-2)15(10)24-3)21-17-19-9-13(18)16(22-17)20-11-5-6-11;15-11-7-18-14(21-13(11)19-9-1-2-9)20-10-5-8-3-4-16-12(8)17-6-10/h2-5,7-10H,1,6H2,(H,26,31)(H,29,32)(H2,25,27,28,30);7-9,11H,4-6H2,1-3H3,(H2,22,23,24,25);7-9,11H,4-6H2,1-3H3,(H2,19,20,21,22);3-7,9H,1-2H2,(H,16,17)(H2,18,19,20,21).

What are the key properties of 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?

5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 1560.28 g/mol, XLogP of 16.71, 22 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)pyrimidine-2,4-diamine;5-bromo-4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3-ethyl-4,5-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 157284200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).