2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole

C47H65Cl3F6N12 — CID 160777979

About 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole

2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole (PubChem CID 160777979) has the molecular formula C47H65Cl3F6N12 and a molecular weight of 1018.47 g/mol. Its IUPAC name is 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole.

Molecular Properties

• Compound Name: 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole
• PubChem CID: 160777979
• Molecular Formula: C47H65Cl3F6N12
• Molecular Weight: 1018.47 g/mol
• Exact Mass: 1016.44
• IUPAC Name: 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole
• SMILES: CC1=CC(C)=NC1.CCc1cnc(-n2nc(C)cc2C)nc1NC1CCC(F)(F)CC1.CCc1cnc(Cl)nc1Cl.CCc1cnc(Cl)nc1NC1CCC(F)(F)CC1.NC1CCC(F)(F)CC1
• InChI: InChI=1S/C17H23F2N5.C12H16ClF2N3.C6H6Cl2N2.C6H11F2N.C6H9N/c1-4-13-10-20-16(24-12(3)9-11(2)23-24)22-15(13)21-14-5-7-17(18,19)8-6-14;1-2-8-7-16-11(13)18-10(8)17-9-3-5-12(14,15)6-4-9;1-2-4-3-9-6(8)10-5(4)7;7-6(8)3-1-5(9)2-4-6;1-5-3-6(2)7-4-5/h9-10,14H,4-8H2,1-3H3,(H,20,21,22);7,9H,2-6H2,1H3,(H,16,17,18);3H,2H2,1H3;5H,1-4,9H2;3H,4H2,1-2H3
• InChIKey: SAEWUKJANVYGHC-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 157.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1018.47
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole?

The IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole (CID 160777979) is 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole.

What is the SMILES notation for 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole?

The canonical SMILES for 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole is CC1=CC(C)=NC1.CCc1cnc(-n2nc(C)cc2C)nc1NC1CCC(F)(F)CC1.CCc1cnc(Cl)nc1Cl.CCc1cnc(Cl)nc1NC1CCC(F)(F)CC1.NC1CCC(F)(F)CC1.

What is the InChIKey of 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole?

The InChIKey is SAEWUKJANVYGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5.C12H16ClF2N3.C6H6Cl2N2.C6H11F2N.C6H9N/c1-4-13-10-20-16(24-12(3)9-11(2)23-24)22-15(13)21-14-5-7-17(18,19)8-6-14;1-2-8-7-16-11(13)18-10(8)17-9-3-5-12(14,15)6-4-9;1-2-4-3-9-6(8)10-5(4)7;7-6(8)3-1-5(9)2-4-6;1-5-3-6(2)7-4-5/h9-10,14H,4-8H2,1-3H3,(H,20,21,22);7,9H,2-6H2,1H3,(H,16,17,18);3H,2H2,1H3;5H,1-4,9H2;3H,4H2,1-2H3.

What are the key properties of 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole?

2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole has a molecular weight of 1018.47 g/mol, XLogP of 12.79, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole is sourced from PubChem (CID 160777979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).