1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole

C57H68Cl3F8N19O5 — CID 160762485

About 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole

1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole (PubChem CID 160762485) has the molecular formula C57H68Cl3F8N19O5 and a molecular weight of 1357.64 g/mol. Its IUPAC name is 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole.

Molecular Properties

• Compound Name: 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole
• PubChem CID: 160762485
• Molecular Formula: C57H68Cl3F8N19O5
• Molecular Weight: 1357.64 g/mol
• Exact Mass: 1355.46
• IUPAC Name: 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole
• SMILES: CC(=O)c1cc(Cl)nc(Cl)n1.CC(=O)c1cc(NC2CCC(F)(F)C2)nc(Cl)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)C3)cc(C(=O)O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)C3)cc(C(N)=O)n2)n1.NC1CCC(F)(F)C1
• InChI: InChI=1S/C15H18F2N6O.C15H17F2N5O2.C11H12ClF2N3O.C6H4Cl2N2O.C5H9F2N.C5H8N2/c1-8-5-9(2)23(22-8)14-20-11(13(18)24)6-12(21-14)19-10-3-4-15(16,17)7-10;1-8-5-9(2)22(21-8)14-19-11(13(23)24)6-12(20-14)18-10-3-4-15(16,17)7-10;1-6(18)8-4-9(17-10(12)16-8)15-7-2-3-11(13,14)5-7;1-3(11)4-2-5(7)10-6(8)9-4;6-5(7)2-1-4(8)3-5;1-4-3-5(2)7-6-4/h5-6,10H,3-4,7H2,1-2H3,(H2,18,24)(H,19,20,21);5-6,10H,3-4,7H2,1-2H3,(H,23,24)(H,18,19,20);4,7H,2-3,5H2,1H3,(H,15,16,17);2H,1H3;4H,1-3,8H2;3H,1-2H3,(H,6,7)
• InChIKey: RYGACJVRNOSEOK-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 344.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1357.64
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole?

The IUPAC name of 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole (CID 160762485) is 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole.

What is the SMILES notation for 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole?

The canonical SMILES for 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole is CC(=O)c1cc(Cl)nc(Cl)n1.CC(=O)c1cc(NC2CCC(F)(F)C2)nc(Cl)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)C3)cc(C(=O)O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)C3)cc(C(N)=O)n2)n1.NC1CCC(F)(F)C1.

What is the InChIKey of 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole?

The InChIKey is RYGACJVRNOSEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6O.C15H17F2N5O2.C11H12ClF2N3O.C6H4Cl2N2O.C5H9F2N.C5H8N2/c1-8-5-9(2)23(22-8)14-20-11(13(18)24)6-12(21-14)19-10-3-4-15(16,17)7-10;1-8-5-9(2)22(21-8)14-19-11(13(23)24)6-12(20-14)18-10-3-4-15(16,17)7-10;1-6(18)8-4-9(17-10(12)16-8)15-7-2-3-11(13,14)5-7;1-3(11)4-2-5(7)10-6(8)9-4;6-5(7)2-1-4(8)3-5;1-4-3-5(2)7-6-4/h5-6,10H,3-4,7H2,1-2H3,(H2,18,24)(H,19,20,21);5-6,10H,3-4,7H2,1-2H3,(H,23,24)(H,18,19,20);4,7H,2-3,5H2,1H3,(H,15,16,17);2H,1H3;4H,1-3,8H2;3H,1-2H3,(H,6,7).

What are the key properties of 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole?

1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole has a molecular weight of 1357.64 g/mol, XLogP of 11.63, 12 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-6-[(3,3-difluorocyclopentyl)amino]pyrimidin-4-yl]ethanone;1-(2,6-dichloropyrimidin-4-yl)ethanone;3,3-difluorocyclopentan-1-amine;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 160762485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).