4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride

C54H68Cl4F4N20O3 — CID 159349701

About 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride

4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride (PubChem CID 159349701) has the molecular formula C54H68Cl4F4N20O3 and a molecular weight of 1263.08 g/mol. Its IUPAC name is 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride
• PubChem CID: 159349701
• Molecular Formula: C54H68Cl4F4N20O3
• Molecular Weight: 1263.08 g/mol
• Exact Mass: 1260.45
• IUPAC Name: 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride
• SMILES: Cc1cc(C)n(-c2nc(Cl)cc(Cl)n2)n1.Cc1cc(C)n(-c2nc(Cl)cc(N3CCOC(C#N)C3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOC(C#N)C3)n2)n1.Cl.N#CC1CNCCO1.NC1CCC(F)(F)CC1
• InChI: InChI=1S/C20H25F2N7O.C14H15ClN6O.C9H8Cl2N4.C6H11F2N.C5H8N2O.ClH/c1-13-9-14(2)29(27-13)19-25-17(24-15-3-5-20(21,22)6-4-15)10-18(26-19)28-7-8-30-16(11-23)12-28;1-9-5-10(2)21(19-9)14-17-12(15)6-13(18-14)20-3-4-22-11(7-16)8-20;1-5-3-6(2)15(14-5)9-12-7(10)4-8(11)13-9;7-6(8)3-1-5(9)2-4-6;6-3-5-4-7-1-2-8-5;/h9-10,15-16H,3-8,12H2,1-2H3,(H,24,25,26);5-6,11H,3-4,8H2,1-2H3;3-4H,1-2H3;5H,1-4,9H2;5,7H,1-2,4H2;1H
• InChIKey: VZCNJUONIWRURV-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 286.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1263.08
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride?

The IUPAC name of 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride (CID 159349701) is 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride.

What is the SMILES notation for 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride?

The canonical SMILES for 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride is Cc1cc(C)n(-c2nc(Cl)cc(Cl)n2)n1.Cc1cc(C)n(-c2nc(Cl)cc(N3CCOC(C#N)C3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOC(C#N)C3)n2)n1.Cl.N#CC1CNCCO1.NC1CCC(F)(F)CC1.

What is the InChIKey of 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride?

The InChIKey is VZCNJUONIWRURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N7O.C14H15ClN6O.C9H8Cl2N4.C6H11F2N.C5H8N2O.ClH/c1-13-9-14(2)29(27-13)19-25-17(24-15-3-5-20(21,22)6-4-15)10-18(26-19)28-7-8-30-16(11-23)12-28;1-9-5-10(2)21(19-9)14-17-12(15)6-13(18-14)20-3-4-22-11(7-16)8-20;1-5-3-6(2)15(14-5)9-12-7(10)4-8(11)13-9;7-6(8)3-1-5(9)2-4-6;6-3-5-4-7-1-2-8-5;/h9-10,15-16H,3-8,12H2,1-2H3,(H,24,25,26);5-6,11H,3-4,8H2,1-2H3;3-4H,1-2H3;5H,1-4,9H2;5,7H,1-2,4H2;1H.

What are the key properties of 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride?

4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride has a molecular weight of 1263.08 g/mol, XLogP of 8.69, 7 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carbonitrile;morpholine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 159349701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).