3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate

C77H94Cl3F10N25O7 — CID 160847357

IUPAC3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(Cl)n1.COC(=O)c1cc(NC2CCCC(F)(F)C2)nc(Cl)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2nc(C#N)cc(NC3CCCC(F)(F)C3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCCC(F)(F)C3)cc(C(=O)O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCCC(F)(F)C3)cc(C(N)=O)n2)n1.NC1CCCC(F)(F)C1
InChIInChI=1S/C16H20F2N6O.C16H18F2N6.C16H19F2N5O2.C12H14ClF2N3O2.C6H4Cl2N2O2.C6H11F2N.C5H8N2/c1-9-6-10(2)24(23-9)15-21-12(14(19)25)7-13(22-15)20-11-4-3-5-16(17,18)8-11;1-10-6-11(2)24(23-10)15-21-13(9-19)7-14(22-15)20-12-4-3-5-16(17,18)8-12;1-9-6-10(2)23(22-9)15-20-12(14(24)25)7-13(21-15)19-11-4-3-5-16(17,18)8-11;1-20-10(19)8-5-9(18-11(13)17-8)16-7-3-2-4-12(14,15)6-7;1-12-5(11)3-2-4(7)10-6(8)9-3;7-6(8)3-1-2-5(9)4-6;1-4-3-5(2)7-6-4/h6-7,11H,3-5,8H2,1-2H3,(H2,19,25)(H,20,21,22);6-7,12H,3-5,8H2,1-2H3,(H,20,21,22);6-7,11H,3-5,8H2,1-2H3,(H,24,25)(H,19,20,21);5,7H,2-4,6H2,1H3,(H,16,17,18);2H,1H3;5H,1-4,9H2;3H,1-2H3,(H,6,7)
InChIKeySIUUGYJOQBSJFY-UHFFFAOYSA-N
MW1778.11 g/mol
LogP15.50
Rot. Bonds15

About 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate

3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate (PubChem CID 160847357) has the molecular formula C77H94Cl3F10N25O7 and a molecular weight of 1778.11 g/mol. Its IUPAC name is 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate.

Molecular Properties

Compound Name3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate
PubChem CID160847357
Molecular FormulaC77H94Cl3F10N25O7
Molecular Weight1778.11 g/mol
Exact Mass1775.67
IUPAC Name3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(Cl)n1.COC(=O)c1cc(NC2CCCC(F)(F)C2)nc(Cl)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2nc(C#N)cc(NC3CCCC(F)(F)C3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCCC(F)(F)C3)cc(C(=O)O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCCC(F)(F)C3)cc(C(N)=O)n2)n1.NC1CCCC(F)(F)C1
InChIInChI=1S/C16H20F2N6O.C16H18F2N6.C16H19F2N5O2.C12H14ClF2N3O2.C6H4Cl2N2O2.C6H11F2N.C5H8N2/c1-9-6-10(2)24(23-9)15-21-12(14(19)25)7-13(22-15)20-11-4-3-5-16(17,18)8-11;1-10-6-11(2)24(23-10)15-21-13(9-19)7-14(22-15)20-12-4-3-5-16(17,18)8-12;1-9-6-10(2)23(22-9)15-20-12(14(24)25)7-13(21-15)19-11-4-3-5-16(17,18)8-11;1-20-10(19)8-5-9(18-11(13)17-8)16-7-3-2-4-12(14,15)6-7;1-12-5(11)3-2-4(7)10-6(8)9-3;7-6(8)3-1-2-5(9)4-6;1-4-3-5(2)7-6-4/h6-7,11H,3-5,8H2,1-2H3,(H2,19,25)(H,20,21,22);6-7,12H,3-5,8H2,1-2H3,(H,20,21,22);6-7,11H,3-5,8H2,1-2H3,(H,24,25)(H,19,20,21);5,7H,2-4,6H2,1H3,(H,16,17,18);2H,1H3;5H,1-4,9H2;3H,1-2H3,(H,6,7)
InChIKeySIUUGYJOQBSJFY-UHFFFAOYSA-N
XLogP15.50
TPSA441.96 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001778.11
LogP ≤ 515.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate with MolForge

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Related Compounds

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate
CID 159431150
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
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate
CID 160812075
6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate
CID 161257849
6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate
CID 161268505

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate?
The IUPAC name of 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate (CID 160847357) is 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate.
What is the SMILES notation for 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate?
The canonical SMILES for 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate is COC(=O)c1cc(Cl)nc(Cl)n1.COC(=O)c1cc(NC2CCCC(F)(F)C2)nc(Cl)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2nc(C#N)cc(NC3CCCC(F)(F)C3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCCC(F)(F)C3)cc(C(=O)O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCCC(F)(F)C3)cc(C(N)=O)n2)n1.NC1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate?
The InChIKey is SIUUGYJOQBSJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6O.C16H18F2N6.C16H19F2N5O2.C12H14ClF2N3O2.C6H4Cl2N2O2.C6H11F2N.C5H8N2/c1-9-6-10(2)24(23-9)15-21-12(14(19)25)7-13(22-15)20-11-4-3-5-16(17,18)8-11;1-10-6-11(2)24(23-10)15-21-13(9-19)7-14(22-15)20-12-4-3-5-16(17,18)8-12;1-9-6-10(2)23(22-9)15-20-12(14(24)25)7-13(21-15)19-11-4-3-5-16(17,18)8-11;1-20-10(19)8-5-9(18-11(13)17-8)16-7-3-2-4-12(14,15)6-7;1-12-5(11)3-2-4(7)10-6(8)9-3;7-6(8)3-1-2-5(9)4-6;1-4-3-5(2)7-6-4/h6-7,11H,3-5,8H2,1-2H3,(H2,19,25)(H,20,21,22);6-7,12H,3-5,8H2,1-2H3,(H,20,21,22);6-7,11H,3-5,8H2,1-2H3,(H,24,25)(H,19,20,21);5,7H,2-4,6H2,1H3,(H,16,17,18);2H,1H3;5H,1-4,9H2;3H,1-2H3,(H,6,7).
What are the key properties of 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate?
3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate has a molecular weight of 1778.11 g/mol, XLogP of 15.50, 15 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorocyclohexan-1-amine;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(3,3-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate is sourced from PubChem (CID 160847357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).