6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine

C40H56F4N12O3 — CID 159442345

IUPAC6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine
SMILESC1COCCN1.Cc1cc(C)n(-c2nc(C=O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(CN3CCOCC3)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C20H28F2N6O.C16H19F2N5O.C4H9NO/c1-14-11-15(2)28(26-14)19-24-17(13-27-7-9-29-10-8-27)12-18(25-19)23-16-3-5-20(21,22)6-4-16;1-10-7-11(2)23(22-10)15-20-13(9-24)8-14(21-15)19-12-3-5-16(17,18)6-4-12;1-3-6-4-2-5-1/h11-12,16H,3-10,13H2,1-2H3,(H,23,24,25);7-9,12H,3-6H2,1-2H3,(H,19,20,21);5H,1-4H2
InChIKeyLSIDWNGROMQONV-UHFFFAOYSA-N
MW828.96 g/mol
LogP5.79
Rot. Bonds9

About 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine

6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine (PubChem CID 159442345) has the molecular formula C40H56F4N12O3 and a molecular weight of 828.96 g/mol. Its IUPAC name is 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine.

Molecular Properties

Compound Name6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine
PubChem CID159442345
Molecular FormulaC40H56F4N12O3
Molecular Weight828.96 g/mol
Exact Mass828.45
IUPAC Name6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine
SMILESC1COCCN1.Cc1cc(C)n(-c2nc(C=O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(CN3CCOCC3)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C20H28F2N6O.C16H19F2N5O.C4H9NO/c1-14-11-15(2)28(26-14)19-24-17(13-27-7-9-29-10-8-27)12-18(25-19)23-16-3-5-20(21,22)6-4-16;1-10-7-11(2)23(22-10)15-20-13(9-24)8-14(21-15)19-12-3-5-16(17,18)6-4-12;1-3-6-4-2-5-1/h11-12,16H,3-10,13H2,1-2H3,(H,23,24,25);7-9,12H,3-6H2,1-2H3,(H,19,20,21);5H,1-4H2
InChIKeyLSIDWNGROMQONV-UHFFFAOYSA-N
XLogP5.79
TPSA162.06 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.96
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine with MolForge

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Related Compounds

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-morpholin-4-ylpyrimidin-4-amine;morpholine
CID 159038534
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-methylmorpholin-4-yl)pyrimidin-4-amine;2-methylmorpholine
CID 159313782
bis(6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine);6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxamide
CID 159721335
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine
CID 160651176
4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-4-amine
CID 161619035
6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-6-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 162009858

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine?
The IUPAC name of 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine (CID 159442345) is 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine.
What is the SMILES notation for 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine?
The canonical SMILES for 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine is C1COCCN1.Cc1cc(C)n(-c2nc(C=O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(CN3CCOCC3)cc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine?
The InChIKey is LSIDWNGROMQONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N6O.C16H19F2N5O.C4H9NO/c1-14-11-15(2)28(26-14)19-24-17(13-27-7-9-29-10-8-27)12-18(25-19)23-16-3-5-20(21,22)6-4-16;1-10-7-11(2)23(22-10)15-20-13(9-24)8-14(21-15)19-12-3-5-16(17,18)6-4-12;1-3-6-4-2-5-1/h11-12,16H,3-10,13H2,1-2H3,(H,23,24,25);7-9,12H,3-6H2,1-2H3,(H,19,20,21);5H,1-4H2.
What are the key properties of 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine?
6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine has a molecular weight of 828.96 g/mol, XLogP of 5.79, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-amine;morpholine is sourced from PubChem (CID 159442345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).