4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine

C114H167Cl4F9N20O5 — CID 159912330

About 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine

4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 159912330) has the molecular formula C114H167Cl4F9N20O5 and a molecular weight of 2210.52 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine
• PubChem CID: 159912330
• Molecular Formula: C114H167Cl4F9N20O5
• Molecular Weight: 2210.52 g/mol
• Exact Mass: 2207.20
• IUPAC Name: 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine
• SMILES: CC(C)(C)CNc1ccc(F)cc1.CC(C)(C)CNc1ccc(OC(F)(F)F)nc1.CC(C)(C)CNc1cccc(F)c1.CC(C)(C)CNc1cccc(OC(F)(F)F)c1.CC(C)(C)CNc1nc(Cl)cc(Cl)n1.CC(C)(C)CNc1nc(Cl)cc(NCc2cccnc2)n1.CC(C)(C)NCc1cccc(F)c1.COc1ccc(NCC(C)(C)C)cc1OC.COc1ccc(NCC(C)(C)C)cn1.Cc1cc(Cl)nc(NCC(C)(C)C)n1
• InChI: InChI=1S/C15H20ClN5.C13H21NO2.C12H16F3NO.C11H15F3N2O.3C11H16FN.C11H18N2O.C10H16ClN3.C9H13Cl2N3/c1-15(2,3)10-19-14-20-12(16)7-13(21-14)18-9-11-5-4-6-17-8-11;1-13(2,3)9-14-10-6-7-11(15-4)12(8-10)16-5;1-11(2,3)8-16-9-5-4-6-10(7-9)17-12(13,14)15;1-10(2,3)7-16-8-4-5-9(15-6-8)17-11(12,13)14;1-11(2,3)8-13-10-6-4-9(12)5-7-10;1-11(2,3)8-13-10-6-4-5-9(12)7-10;1-11(2,3)13-8-9-5-4-6-10(12)7-9;1-11(2,3)8-13-9-5-6-10(14-4)12-7-9;1-7-5-8(11)14-9(13-7)12-6-10(2,3)4;1-9(2,3)5-12-8-13-6(10)4-7(11)14-8/h4-8H,9-10H2,1-3H3,(H2,18,19,20,21);6-8,14H,9H2,1-5H3;4-7,16H,8H2,1-3H3;4-6,16H,7H2,1-3H3;3*4-7,13H,8H2,1-3H3;5-7,13H,8H2,1-4H3;5H,6H2,1-4H3,(H,12,13,14);4H,5H2,1-3H3,(H,12,13,14)
• InChIKey: NXILMBOGSYPXSD-UHFFFAOYSA-N
• XLogP: 32.21
• TPSA: 294.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.52
LogP ≤ 5	32.21
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine?

The IUPAC name of 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine (CID 159912330) is 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine.

What is the SMILES notation for 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine?

The canonical SMILES for 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)CNc1ccc(F)cc1.CC(C)(C)CNc1ccc(OC(F)(F)F)nc1.CC(C)(C)CNc1cccc(F)c1.CC(C)(C)CNc1cccc(OC(F)(F)F)c1.CC(C)(C)CNc1nc(Cl)cc(Cl)n1.CC(C)(C)CNc1nc(Cl)cc(NCc2cccnc2)n1.CC(C)(C)NCc1cccc(F)c1.COc1ccc(NCC(C)(C)C)cc1OC.COc1ccc(NCC(C)(C)C)cn1.Cc1cc(Cl)nc(NCC(C)(C)C)n1.

What is the InChIKey of 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine?

The InChIKey is NXILMBOGSYPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5.C13H21NO2.C12H16F3NO.C11H15F3N2O.3C11H16FN.C11H18N2O.C10H16ClN3.C9H13Cl2N3/c1-15(2,3)10-19-14-20-12(16)7-13(21-14)18-9-11-5-4-6-17-8-11;1-13(2,3)9-14-10-6-7-11(15-4)12(8-10)16-5;1-11(2,3)8-16-9-5-4-6-10(7-9)17-12(13,14)15;1-10(2,3)7-16-8-4-5-9(15-6-8)17-11(12,13)14;1-11(2,3)8-13-10-6-4-9(12)5-7-10;1-11(2,3)8-13-10-6-4-5-9(12)7-10;1-11(2,3)13-8-9-5-4-6-10(12)7-9;1-11(2,3)8-13-9-5-6-10(14-4)12-7-9;1-7-5-8(11)14-9(13-7)12-6-10(2,3)4;1-9(2,3)5-12-8-13-6(10)4-7(11)14-8/h4-8H,9-10H2,1-3H3,(H2,18,19,20,21);6-8,14H,9H2,1-5H3;4-7,16H,8H2,1-3H3;4-6,16H,7H2,1-3H3;3*4-7,13H,8H2,1-3H3;5-7,13H,8H2,1-4H3;5H,6H2,1-4H3,(H,12,13,14);4H,5H2,1-3H3,(H,12,13,14).

What are the key properties of 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine?

4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 2210.52 g/mol, XLogP of 32.21, 28 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine;6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine;4,6-dichloro-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;N-(2,2-dimethylpropyl)-3-fluoroaniline;N-(2,2-dimethylpropyl)-4-fluoroaniline;N-(2,2-dimethylpropyl)-6-methoxypyridin-3-amine;N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline;N-(2,2-dimethylpropyl)-6-(trifluoromethoxy)pyridin-3-amine;N-[(3-fluorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 159912330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).