4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine

C94H122F3N27O3 — CID 162076865

IUPAC4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine
SMILESCc1cnc(Nc2ccc(OC(C)C)nc2)nc1C(C)(C)C.Cc1cnc(Nc2cccc3c2OCCO3)nc1C(C)(C)C.Cc1cnc(Nc2cccc3c2cnn3C)nc1C(C)(C)C.Cc1cnc(Nc2ccnn2C)nc1C(C)(C)C.Cc1cnc(Nc2nn(C)c3ccccc23)nc1C(C)(C)C.Cn1nccc1Nc1ncc(C(F)(F)F)c(C(C)(C)C)n1
InChIInChI=1S/2C17H21N5.C17H24N4O.C17H21N3O2.C13H16F3N5.C13H19N5/c1-11-9-18-16(21-15(11)17(2,3)4)20-13-7-6-8-14-12(13)10-19-22(14)5;1-11-10-18-16(19-14(11)17(2,3)4)20-15-12-8-6-7-9-13(12)22(5)21-15;1-11(2)22-14-8-7-13(10-18-14)20-16-19-9-12(3)15(21-16)17(4,5)6;1-11-10-18-16(20-15(11)17(2,3)4)19-12-6-5-7-13-14(12)22-9-8-21-13;1-12(2,3)10-8(13(14,15)16)7-17-11(20-10)19-9-5-6-18-21(9)4;1-9-8-14-12(17-11(9)13(2,3)4)16-10-6-7-15-18(10)5/h6-10H,1-5H3,(H,18,20,21);6-10H,1-5H3,(H,18,19,20,21);7-11H,1-6H3,(H,19,20,21);5-7,10H,8-9H2,1-4H3,(H,18,19,20);5-7H,1-4H3,(H,17,19,20);6-8H,1-5H3,(H,14,16,17)
InChIKeyZBUYEPSVEPVAGY-UHFFFAOYSA-N
MW1735.19 g/mol
LogP20.86
Rot. Bonds14

About 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine

4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine (PubChem CID 162076865) has the molecular formula C94H122F3N27O3 and a molecular weight of 1735.19 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine
PubChem CID162076865
Molecular FormulaC94H122F3N27O3
Molecular Weight1735.19 g/mol
Exact Mass1734.02
IUPAC Name4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine
SMILESCc1cnc(Nc2ccc(OC(C)C)nc2)nc1C(C)(C)C.Cc1cnc(Nc2cccc3c2OCCO3)nc1C(C)(C)C.Cc1cnc(Nc2cccc3c2cnn3C)nc1C(C)(C)C.Cc1cnc(Nc2ccnn2C)nc1C(C)(C)C.Cc1cnc(Nc2nn(C)c3ccccc23)nc1C(C)(C)C.Cn1nccc1Nc1ncc(C(F)(F)F)c(C(C)(C)C)n1
InChIInChI=1S/2C17H21N5.C17H24N4O.C17H21N3O2.C13H16F3N5.C13H19N5/c1-11-9-18-16(21-15(11)17(2,3)4)20-13-7-6-8-14-12(13)10-19-22(14)5;1-11-10-18-16(19-14(11)17(2,3)4)20-15-12-8-6-7-9-13(12)22(5)21-15;1-11(2)22-14-8-7-13(10-18-14)20-16-19-9-12(3)15(21-16)17(4,5)6;1-11-10-18-16(20-15(11)17(2,3)4)19-12-6-5-7-13-14(12)22-9-8-21-13;1-12(2,3)10-8(13(14,15)16)7-17-11(20-10)19-9-5-6-18-21(9)4;1-9-8-14-12(17-11(9)13(2,3)4)16-10-6-7-15-18(10)5/h6-10H,1-5H3,(H,18,20,21);6-10H,1-5H3,(H,18,19,20,21);7-11H,1-6H3,(H,19,20,21);5-7,10H,8-9H2,1-4H3,(H,18,19,20);5-7H,1-4H3,(H,17,19,20);6-8H,1-5H3,(H,14,16,17)
InChIKeyZBUYEPSVEPVAGY-UHFFFAOYSA-N
XLogP20.86
TPSA338.72 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms127
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001735.19
LogP ≤ 520.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine?
The IUPAC name of 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine (CID 162076865) is 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine.
What is the SMILES notation for 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine?
The canonical SMILES for 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine is Cc1cnc(Nc2ccc(OC(C)C)nc2)nc1C(C)(C)C.Cc1cnc(Nc2cccc3c2OCCO3)nc1C(C)(C)C.Cc1cnc(Nc2cccc3c2cnn3C)nc1C(C)(C)C.Cc1cnc(Nc2ccnn2C)nc1C(C)(C)C.Cc1cnc(Nc2nn(C)c3ccccc23)nc1C(C)(C)C.Cn1nccc1Nc1ncc(C(F)(F)F)c(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine?
The InChIKey is ZBUYEPSVEPVAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H21N5.C17H24N4O.C17H21N3O2.C13H16F3N5.C13H19N5/c1-11-9-18-16(21-15(11)17(2,3)4)20-13-7-6-8-14-12(13)10-19-22(14)5;1-11-10-18-16(19-14(11)17(2,3)4)20-15-12-8-6-7-9-13(12)22(5)21-15;1-11(2)22-14-8-7-13(10-18-14)20-16-19-9-12(3)15(21-16)17(4,5)6;1-11-10-18-16(20-15(11)17(2,3)4)19-12-6-5-7-13-14(12)22-9-8-21-13;1-12(2,3)10-8(13(14,15)16)7-17-11(20-10)19-9-5-6-18-21(9)4;1-9-8-14-12(17-11(9)13(2,3)4)16-10-6-7-15-18(10)5/h6-10H,1-5H3,(H,18,20,21);6-10H,1-5H3,(H,18,19,20,21);7-11H,1-6H3,(H,19,20,21);5-7,10H,8-9H2,1-4H3,(H,18,19,20);5-7H,1-4H3,(H,17,19,20);6-8H,1-5H3,(H,14,16,17).
What are the key properties of 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine?
4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine has a molecular weight of 1735.19 g/mol, XLogP of 20.86, 14 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine is sourced from PubChem (CID 162076865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).