6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine

C28H33Cl3F4N10 — CID 167712782

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine
SMILESCc1ccn(-c2nc(Cl)cc(Cl)n2)n1.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C14H16ClF2N5.C8H6Cl2N4.C6H11F2N/c1-9-4-7-22(21-9)13-19-11(15)8-12(20-13)18-10-2-5-14(16,17)6-3-10;1-5-2-3-14(13-5)8-11-6(9)4-7(10)12-8;7-6(8)3-1-5(9)2-4-6/h4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);2-4H,1H3;5H,1-4,9H2
InChIKeyRSLGCXCCEQIPND-UHFFFAOYSA-N
MW691.99 g/mol
LogP7.41
Rot. Bonds4

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine (PubChem CID 167712782) has the molecular formula C28H33Cl3F4N10 and a molecular weight of 691.99 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine
PubChem CID167712782
Molecular FormulaC28H33Cl3F4N10
Molecular Weight691.99 g/mol
Exact Mass690.19
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine
SMILESCc1ccn(-c2nc(Cl)cc(Cl)n2)n1.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C14H16ClF2N5.C8H6Cl2N4.C6H11F2N/c1-9-4-7-22(21-9)13-19-11(15)8-12(20-13)18-10-2-5-14(16,17)6-3-10;1-5-2-3-14(13-5)8-11-6(9)4-7(10)12-8;7-6(8)3-1-5(9)2-4-6/h4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);2-4H,1H3;5H,1-4,9H2
InChIKeyRSLGCXCCEQIPND-UHFFFAOYSA-N
XLogP7.41
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.99
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine with MolForge

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Related Compounds

3-[6-[(4,4-Difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 132206633
N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 132206647
N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)pyrazol-1-yl]-6-methylpyrimidin-4-amine
CID 132206653
N-(4,4-difluorocyclohexyl)-4-(3-methylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-2-amine
CID 132206707
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 132206871
6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 132206894
N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 132206910
2-[3-(chloromethyl)pyrazol-1-yl]-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
CID 132207766
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine
CID 132207843
6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 139300283
6-chloro-N-(4,4-difluorocyclohexyl)-5-fluoro-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 139300460
6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 139300550

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine (CID 167712782) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine is Cc1ccn(-c2nc(Cl)cc(Cl)n2)n1.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine?
The InChIKey is RSLGCXCCEQIPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N5.C8H6Cl2N4.C6H11F2N/c1-9-4-7-22(21-9)13-19-11(15)8-12(20-13)18-10-2-5-14(16,17)6-3-10;1-5-2-3-14(13-5)8-11-6(9)4-7(10)12-8;7-6(8)3-1-5(9)2-4-6/h4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);2-4H,1H3;5H,1-4,9H2.
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine has a molecular weight of 691.99 g/mol, XLogP of 7.41, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 167712782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).