2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride

C78H99Cl4F8N19O15 — CID 158978952

About 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride

2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride (PubChem CID 158978952) has the molecular formula C78H99Cl4F8N19O15 and a molecular weight of 1836.56 g/mol. Its IUPAC name is 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride
• PubChem CID: 158978952
• Molecular Formula: C78H99Cl4F8N19O15
• Molecular Weight: 1836.56 g/mol
• Exact Mass: 1833.62
• IUPAC Name: 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride
• SMILES: CC(C)(O)c1cc(N)nc(N2CCC(F)(F)CC2)n1.COC(=O)c1cc(Cl)nc(Cl)n1.COC(=O)c1cc(N)nc(N2CCC(F)(F)CC2)n1.COC(=O)c1cc(NCc2cc(OC)cc(OC)c2)nc(Cl)n1.COC(=O)c1cc(NCc2cc(OC)cc(OC)c2)nc(N2CCC(F)(F)CC2)n1.COc1cc(CN)cc(OC)c1.Cl.FC1(F)CCNCC1
• InChI: InChI=1S/C20H24F2N4O4.C15H16ClN3O4.C12H18F2N4O.C11H14F2N4O2.C9H13NO2.C6H4Cl2N2O2.C5H9F2N.ClH/c1-28-14-8-13(9-15(10-14)29-2)12-23-17-11-16(18(27)30-3)24-19(25-17)26-6-4-20(21,22)5-7-26;1-21-10-4-9(5-11(6-10)22-2)8-17-13-7-12(14(20)23-3)18-15(16)19-13;1-11(2,19)8-7-9(15)17-10(16-8)18-5-3-12(13,14)4-6-18;1-19-9(18)7-6-8(14)16-10(15-7)17-4-2-11(12,13)3-5-17;1-11-8-3-7(6-10)4-9(5-8)12-2;1-12-5(11)3-2-4(7)10-6(8)9-3;6-5(7)1-3-8-4-2-5;/h8-11H,4-7,12H2,1-3H3,(H,23,24,25);4-7H,8H2,1-3H3,(H,17,18,19);7,19H,3-6H2,1-2H3,(H2,15,16,17);6H,2-5H2,1H3,(H2,14,15,16);3-5H,6,10H2,1-2H3;2H,1H3;8H,1-4H2;1H
• InChIKey: NJGYHSIPNBDGCJ-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 433.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1836.56
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride?

The IUPAC name of 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride (CID 158978952) is 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride.

What is the SMILES notation for 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride?

The canonical SMILES for 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride is CC(C)(O)c1cc(N)nc(N2CCC(F)(F)CC2)n1.COC(=O)c1cc(Cl)nc(Cl)n1.COC(=O)c1cc(N)nc(N2CCC(F)(F)CC2)n1.COC(=O)c1cc(NCc2cc(OC)cc(OC)c2)nc(Cl)n1.COC(=O)c1cc(NCc2cc(OC)cc(OC)c2)nc(N2CCC(F)(F)CC2)n1.COc1cc(CN)cc(OC)c1.Cl.FC1(F)CCNCC1.

What is the InChIKey of 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride?

The InChIKey is NJGYHSIPNBDGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O4.C15H16ClN3O4.C12H18F2N4O.C11H14F2N4O2.C9H13NO2.C6H4Cl2N2O2.C5H9F2N.ClH/c1-28-14-8-13(9-15(10-14)29-2)12-23-17-11-16(18(27)30-3)24-19(25-17)26-6-4-20(21,22)5-7-26;1-21-10-4-9(5-11(6-10)22-2)8-17-13-7-12(14(20)23-3)18-15(16)19-13;1-11(2,19)8-7-9(15)17-10(16-8)18-5-3-12(13,14)4-6-18;1-19-9(18)7-6-8(14)16-10(15-7)17-4-2-11(12,13)3-5-17;1-11-8-3-7(6-10)4-9(5-8)12-2;1-12-5(11)3-2-4(7)10-6(8)9-3;6-5(7)1-3-8-4-2-5;/h8-11H,4-7,12H2,1-3H3,(H,23,24,25);4-7H,8H2,1-3H3,(H,17,18,19);7,19H,3-6H2,1-2H3,(H2,15,16,17);6H,2-5H2,1H3,(H2,14,15,16);3-5H,6,10H2,1-2H3;2H,1H3;8H,1-4H2;1H.

What are the key properties of 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride?

2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride has a molecular weight of 1836.56 g/mol, XLogP of 12.44, 21 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]propan-2-ol;4,4-difluoropiperidine;(3,5-dimethoxyphenyl)methanamine;methyl 6-amino-2-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxylate;methyl 2-chloro-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;methyl 2-(4,4-difluoropiperidin-1-yl)-6-[(3,5-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 158978952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).