6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C81H77F15N26O4 — CID 159921827

About 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 159921827) has the molecular formula C81H77F15N26O4 and a molecular weight of 1763.65 g/mol. Its IUPAC name is 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 159921827
• Molecular Formula: C81H77F15N26O4
• Molecular Weight: 1763.65 g/mol
• Exact Mass: 1762.64
• IUPAC Name: 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
• SMILES: COCCNc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.FC(F)(F)c1cnc(NC2CC2)nc1Nc1cnc2[nH]ccc2c1.FC(F)(F)c1cnc(Nc2ccc3c(c2)CCCO3)nc1NC1CC1.FC(F)(F)c1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CC1.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc2N1
• InChI: InChI=1S/C17H18F3N5O2.C17H16F3N5O.C17H17F3N4O.2C15H13F3N6/c1-27-7-6-21-15-12(17(18,19)20)9-22-16(25-15)23-11-3-4-13-10(8-11)2-5-14(26)24-13;18-17(19,20)12-8-21-16(25-15(12)22-10-2-3-10)23-11-4-5-13-9(7-11)1-6-14(26)24-13;18-17(19,20)13-9-21-16(24-15(13)22-11-3-4-11)23-12-5-6-14-10(8-12)2-1-7-25-14;16-15(17,18)11-7-21-14(23-9-1-2-9)24-13(11)22-10-5-8-3-4-19-12(8)20-6-10;16-15(17,18)11-7-21-14(24-13(11)22-9-1-2-9)23-10-5-8-3-4-19-12(8)20-6-10/h3-4,8-9H,2,5-7H2,1H3,(H,24,26)(H2,21,22,23,25);4-5,7-8,10H,1-3,6H2,(H,24,26)(H2,21,22,23,25);5-6,8-9,11H,1-4,7H2,(H2,21,22,23,24);2*3-7,9H,1-2H2,(H,19,20)(H2,21,22,23,24)
• InChIKey: NYMOMFKETKUYNV-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 383.22 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.65
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 159921827) is 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

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

The canonical SMILES for 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is COCCNc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.FC(F)(F)c1cnc(NC2CC2)nc1Nc1cnc2[nH]ccc2c1.FC(F)(F)c1cnc(Nc2ccc3c(c2)CCCO3)nc1NC1CC1.FC(F)(F)c1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CC1.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc2N1.

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

The InChIKey is NYMOMFKETKUYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2.C17H16F3N5O.C17H17F3N4O.2C15H13F3N6/c1-27-7-6-21-15-12(17(18,19)20)9-22-16(25-15)23-11-3-4-13-10(8-11)2-5-14(26)24-13;18-17(19,20)12-8-21-16(25-15(12)22-10-2-3-10)23-11-4-5-13-9(7-11)1-6-14(26)24-13;18-17(19,20)13-9-21-16(24-15(13)22-11-3-4-11)23-12-5-6-14-10(8-12)2-1-7-25-14;16-15(17,18)11-7-21-14(23-9-1-2-9)24-13(11)22-10-5-8-3-4-19-12(8)20-6-10;16-15(17,18)11-7-21-14(24-13(11)22-9-1-2-9)23-10-5-8-3-4-19-12(8)20-6-10/h3-4,8-9H,2,5-7H2,1H3,(H,24,26)(H2,21,22,23,25);4-5,7-8,10H,1-3,6H2,(H,24,26)(H2,21,22,23,25);5-6,8-9,11H,1-4,7H2,(H2,21,22,23,24);2*3-7,9H,1-2H2,(H,19,20)(H2,21,22,23,24).

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

6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 1763.65 g/mol, XLogP of 18.40, 22 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-methoxyethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 159921827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).