6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride

C55H69Cl6F6N21O4S — CID 159383221

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride
SMILESC1COCCN1.CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Cl.Clc1cc(Cl)nc(-n2cccn2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3cccn3)n2)CC1.FC1(F)CCC(Nc2cc(N3CCOCC3)nc(-n3cccn3)n2)CC1.NC1CCC(F)(F)CC1.c1cn[nH]c1
InChIInChI=1S/C17H22F2N6O.C13H14ClF2N5.C7H4Cl2N4.C6H11F2N.C5H4Cl2N2O2S.C4H9NO.C3H4N2.ClH/c18-17(19)4-2-13(3-5-17)21-14-12-15(24-8-10-26-11-9-24)23-16(22-14)25-7-1-6-20-25;14-10-8-11(18-9-2-4-13(15,16)5-3-9)20-12(19-10)21-7-1-6-17-21;8-5-4-6(9)12-7(11-5)13-3-1-2-10-13;7-6(8)3-1-5(9)2-4-6;1-12(10,11)5-8-3(6)2-4(7)9-5;1-3-6-4-2-5-1;1-2-4-5-3-1;/h1,6-7,12-13H,2-5,8-11H2,(H,21,22,23);1,6-9H,2-5H2,(H,18,19,20);1-4H;5H,1-4,9H2;2H,1H3;5H,1-4H2;1-3H,(H,4,5);1H
InChIKeyXTILXQVFPIFELF-UHFFFAOYSA-N
MW1447.07 g/mol
LogP10.91
Rot. Bonds9

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride

6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride (PubChem CID 159383221) has the molecular formula C55H69Cl6F6N21O4S and a molecular weight of 1447.07 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride
PubChem CID159383221
Molecular FormulaC55H69Cl6F6N21O4S
Molecular Weight1447.07 g/mol
Exact Mass1443.36
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride
SMILESC1COCCN1.CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Cl.Clc1cc(Cl)nc(-n2cccn2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3cccn3)n2)CC1.FC1(F)CCC(Nc2cc(N3CCOCC3)nc(-n3cccn3)n2)CC1.NC1CCC(F)(F)CC1.c1cn[nH]c1
InChIInChI=1S/C17H22F2N6O.C13H14ClF2N5.C7H4Cl2N4.C6H11F2N.C5H4Cl2N2O2S.C4H9NO.C3H4N2.ClH/c18-17(19)4-2-13(3-5-17)21-14-12-15(24-8-10-26-11-9-24)23-16(22-14)25-7-1-6-20-25;14-10-8-11(18-9-2-4-13(15,16)5-3-9)20-12(19-10)21-7-1-6-17-21;8-5-4-6(9)12-7(11-5)13-3-1-2-10-13;7-6(8)3-1-5(9)2-4-6;1-12(10,11)5-8-3(6)2-4(7)9-5;1-3-6-4-2-5-1;1-2-4-5-3-1;/h1,6-7,12-13H,2-5,8-11H2,(H,21,22,23);1,6-9H,2-5H2,(H,18,19,20);1-4H;5H,1-4,9H2;2H,1H3;5H,1-4H2;1-3H,(H,4,5);1H
InChIKeyXTILXQVFPIFELF-UHFFFAOYSA-N
XLogP10.91
TPSA303.21 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001447.07
LogP ≤ 510.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride with MolForge

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Related Compounds

4-aminochloranuidyl-1,1-difluorocyclohexane;5-tert-butyl-1H-pyrazole;2-(3-tert-butylpyrazol-1-yl)-6-chloro-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-tert-butylpyrazol-1-yl)-4,6-dichloropyrimidine;2-(3-tert-butylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;morpholine
CID 158728246
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole
CID 160512773
6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(4-fluoropyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-fluoro-1H-pyrazole;morpholine;hydrochloride
CID 161772372

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride (CID 159383221) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride is C1COCCN1.CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Cl.Clc1cc(Cl)nc(-n2cccn2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3cccn3)n2)CC1.FC1(F)CCC(Nc2cc(N3CCOCC3)nc(-n3cccn3)n2)CC1.NC1CCC(F)(F)CC1.c1cn[nH]c1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride?
The InChIKey is XTILXQVFPIFELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N6O.C13H14ClF2N5.C7H4Cl2N4.C6H11F2N.C5H4Cl2N2O2S.C4H9NO.C3H4N2.ClH/c18-17(19)4-2-13(3-5-17)21-14-12-15(24-8-10-26-11-9-24)23-16(22-14)25-7-1-6-20-25;14-10-8-11(18-9-2-4-13(15,16)5-3-9)20-12(19-10)21-7-1-6-17-21;8-5-4-6(9)12-7(11-5)13-3-1-2-10-13;7-6(8)3-1-5(9)2-4-6;1-12(10,11)5-8-3(6)2-4(7)9-5;1-3-6-4-2-5-1;1-2-4-5-3-1;/h1,6-7,12-13H,2-5,8-11H2,(H,21,22,23);1,6-9H,2-5H2,(H,18,19,20);1-4H;5H,1-4,9H2;2H,1H3;5H,1-4H2;1-3H,(H,4,5);1H.
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride?
6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride has a molecular weight of 1447.07 g/mol, XLogP of 10.91, 9 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-pyrazol-1-ylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-4-amine;morpholine;1H-pyrazole;hydrochloride is sourced from PubChem (CID 159383221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).