6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine

C42H61ClF4N12O4 — CID 161364351

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine (PubChem CID 161364351) has the molecular formula C42H61ClF4N12O4 and a molecular weight of 909.47 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine
• PubChem CID: 161364351
• Molecular Formula: C42H61ClF4N12O4
• Molecular Weight: 909.47 g/mol
• Exact Mass: 908.46
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine
• SMILES: COCC1CN(c2cc(NC3CCC(F)(F)CC3)nc(-n3nc(C)cc3C)n2)CCO1.COCC1CNCCO1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C21H30F2N6O2.C15H18ClF2N5.C6H13NO2/c1-14-10-15(2)29(27-14)20-25-18(24-16-4-6-21(22,23)7-5-16)11-19(26-20)28-8-9-31-17(12-28)13-30-3;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-8-5-6-4-7-2-3-9-6/h10-11,16-17H,4-9,12-13H2,1-3H3,(H,24,25,26);7-8,11H,3-6H2,1-2H3,(H,19,20,21);6-7H,2-5H2,1H3
• InChIKey: VPPPYNYOTKFKLL-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 163.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.47
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine (CID 161364351) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine.

What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine is COCC1CN(c2cc(NC3CCC(F)(F)CC3)nc(-n3nc(C)cc3C)n2)CCO1.COCC1CNCCO1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine?

The InChIKey is VPPPYNYOTKFKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N6O2.C15H18ClF2N5.C6H13NO2/c1-14-10-15(2)29(27-14)20-25-18(24-16-4-6-21(22,23)7-5-16)11-19(26-20)28-8-9-31-17(12-28)13-30-3;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-8-5-6-4-7-2-3-9-6/h10-11,16-17H,4-9,12-13H2,1-3H3,(H,24,25,26);7-8,11H,3-6H2,1-2H3,(H,19,20,21);6-7H,2-5H2,1H3.

What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine?

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine has a molecular weight of 909.47 g/mol, XLogP of 6.66, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine;2-(methoxymethyl)morpholine is sourced from PubChem (CID 161364351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).