2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C116H109ClF18N32O8 — CID 159920941

About 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 159920941) has the molecular formula C116H109ClF18N32O8 and a molecular weight of 2456.78 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• PubChem CID: 159920941
• Molecular Formula: C116H109ClF18N32O8
• Molecular Weight: 2456.78 g/mol
• Exact Mass: 2454.85
• IUPAC Name: 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• SMILES: CC(Cl)CNc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C(F)(F)F.Cc1cnc(Nc2ccc3c(c2)OCO3)nc1NC1CCC1.FC(F)(F)c1cnc(NC2CCC2)nc1Nc1ccc2c(c1)OCO2.FC(F)(F)c1cnc(NC2Cc3ccccc3C2)nc1Nc1ccc2c(c1)OCO2.FC(F)(F)c1cnc(Nc2ccc3c(c2)CC=N3)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc3c(c2)CCCO3)nc1NC1CC1
• InChI: InChI=1S/C21H17F3N4O2.C17H17ClF3N5O.C17H17F3N4O.C16H14F3N5.C16H15F3N4O2.C16H18N4O2.C13H11F3N6/c22-21(23,24)16-10-25-20(27-15-7-12-3-1-2-4-13(12)8-15)28-19(16)26-14-5-6-17-18(9-14)30-11-29-17;1-9(18)7-22-15-12(17(19,20)21)8-23-16(26-15)24-11-3-4-13-10(6-11)2-5-14(27)25-13;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;17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13;17-16(18,19)11-7-20-15(22-9-2-1-3-9)23-14(11)21-10-4-5-12-13(6-10)25-8-24-12;1-10-8-17-16(20-15(10)18-11-3-2-4-11)19-12-5-6-13-14(7-12)22-9-21-13;1-17-11-9(13(14,15)16)6-20-12(22-11)21-8-4-7-2-3-18-10(7)19-5-8/h1-6,9-10,15H,7-8,11H2,(H2,25,26,27,28);3-4,6,8-9H,2,5,7H2,1H3,(H,25,27)(H2,22,23,24,26);5-6,8-9,11H,1-4,7H2,(H2,21,22,23,24);3-4,6-8,10H,1-2,5H2,(H2,21,22,23,24);4-7,9H,1-3,8H2,(H2,20,21,22,23);5-8,11H,2-4,9H2,1H3,(H2,17,18,19,20);2-6H,1H3,(H,18,19)(H2,17,20,21,22)
• InChIKey: NYJORQVIUXNKTQ-UHFFFAOYSA-N
• XLogP: 27.23
• TPSA: 483.63 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2456.78
LogP ≤ 5	27.23
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 159920941) is 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CC(Cl)CNc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C(F)(F)F.Cc1cnc(Nc2ccc3c(c2)OCO3)nc1NC1CCC1.FC(F)(F)c1cnc(NC2CCC2)nc1Nc1ccc2c(c1)OCO2.FC(F)(F)c1cnc(NC2Cc3ccccc3C2)nc1Nc1ccc2c(c1)OCO2.FC(F)(F)c1cnc(Nc2ccc3c(c2)CC=N3)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc3c(c2)CCCO3)nc1NC1CC1.

What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The InChIKey is NYJORQVIUXNKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2.C17H17ClF3N5O.C17H17F3N4O.C16H14F3N5.C16H15F3N4O2.C16H18N4O2.C13H11F3N6/c22-21(23,24)16-10-25-20(27-15-7-12-3-1-2-4-13(12)8-15)28-19(16)26-14-5-6-17-18(9-14)30-11-29-17;1-9(18)7-22-15-12(17(19,20)21)8-23-16(26-15)24-11-3-4-13-10(6-11)2-5-14(27)25-13;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;17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13;17-16(18,19)11-7-20-15(22-9-2-1-3-9)23-14(11)21-10-4-5-12-13(6-10)25-8-24-12;1-10-8-17-16(20-15(10)18-11-3-2-4-11)19-12-5-6-13-14(7-12)22-9-21-13;1-17-11-9(13(14,15)16)6-20-12(22-11)21-8-4-7-2-3-18-10(7)19-5-8/h1-6,9-10,15H,7-8,11H2,(H2,25,26,27,28);3-4,6,8-9H,2,5,7H2,1H3,(H,25,27)(H2,22,23,24,26);5-6,8-9,11H,1-4,7H2,(H2,21,22,23,24);3-4,6-8,10H,1-2,5H2,(H2,21,22,23,24);4-7,9H,1-3,8H2,(H2,20,21,22,23);5-8,11H,2-4,9H2,1H3,(H2,17,18,19,20);2-6H,1H3,(H,18,19)(H2,17,20,21,22).

What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 2456.78 g/mol, XLogP of 27.23, 28 rotatable bonds, 16 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclobutyl-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-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;4-N-cyclopropyl-2-N-(3H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159920941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).