4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline

C58H84Cl3F3N14O6 — CID 158880391

About 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline

4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline (PubChem CID 158880391) has the molecular formula C58H84Cl3F3N14O6 and a molecular weight of 1236.75 g/mol. Its IUPAC name is 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline.

Molecular Properties

• Compound Name: 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline
• PubChem CID: 158880391
• Molecular Formula: C58H84Cl3F3N14O6
• Molecular Weight: 1236.75 g/mol
• Exact Mass: 1234.57
• IUPAC Name: 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline
• SMILES: CC(C)(C)OC(=O)NCC1CCN(c2nc(Cl)ncc2F)CC1.CC(C)(C)OC(=O)NCC1CCNCC1.COc1cc(N)cc(C)c1C.COc1cc(Nc2ncc(F)c(N3CCC(CN)CC3)n2)cc(C)c1C.Fc1cnc(Cl)nc1Cl
• InChI: InChI=1S/C19H26FN5O.C15H22ClFN4O2.C11H22N2O2.C9H13NO.C4HCl2FN2/c1-12-8-15(9-17(26-3)13(12)2)23-19-22-11-16(20)18(24-19)25-6-4-14(10-21)5-7-25;1-15(2,3)23-14(22)19-8-10-4-6-21(7-5-10)12-11(17)9-18-13(16)20-12;1-11(2,3)15-10(14)13-8-9-4-6-12-7-5-9;1-6-4-8(10)5-9(11-3)7(6)2;5-3-2(7)1-8-4(6)9-3/h8-9,11,14H,4-7,10,21H2,1-3H3,(H,22,23,24);9-10H,4-8H2,1-3H3,(H,19,22);9,12H,4-8H2,1-3H3,(H,13,14);4-5H,10H2,1-3H3;1H
• InChIKey: JCYNXPYMJQUGIE-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 255.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1236.75
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline?

The IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline (CID 158880391) is 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline.

What is the SMILES notation for 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline?

The canonical SMILES for 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline is CC(C)(C)OC(=O)NCC1CCN(c2nc(Cl)ncc2F)CC1.CC(C)(C)OC(=O)NCC1CCNCC1.COc1cc(N)cc(C)c1C.COc1cc(Nc2ncc(F)c(N3CCC(CN)CC3)n2)cc(C)c1C.Fc1cnc(Cl)nc1Cl.

What is the InChIKey of 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline?

The InChIKey is JCYNXPYMJQUGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O.C15H22ClFN4O2.C11H22N2O2.C9H13NO.C4HCl2FN2/c1-12-8-15(9-17(26-3)13(12)2)23-19-22-11-16(20)18(24-19)25-6-4-14(10-21)5-7-25;1-15(2,3)23-14(22)19-8-10-4-6-21(7-5-10)12-11(17)9-18-13(16)20-12;1-11(2,3)15-10(14)13-8-9-4-6-12-7-5-9;1-6-4-8(10)5-9(11-3)7(6)2;5-3-2(7)1-8-4(6)9-3/h8-9,11,14H,4-7,10,21H2,1-3H3,(H,22,23,24);9-10H,4-8H2,1-3H3,(H,19,22);9,12H,4-8H2,1-3H3,(H,13,14);4-5H,10H2,1-3H3;1H.

What are the key properties of 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline?

4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline has a molecular weight of 1236.75 g/mol, XLogP of 11.50, 11 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine;tert-butyl N-[[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-5-fluoropyrimidine;3-methoxy-4,5-dimethylaniline is sourced from PubChem (CID 158880391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).