5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine

C43H44Cl2F2N10O3 — CID 163793705

IUPAC5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine
SMILESC[C@@H]1CNCCO1.Cc1cc(-c2cnc(N)nc2-c2ccc(F)cc2)cc(Cl)n1.Cc1cc(-c2cnc(NC(=O)N3CCO[C@H](C)C3)nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C22H21ClFN5O2.C16H12ClFN4.C5H11NO/c1-13-9-16(10-19(23)26-13)18-11-25-21(27-20(18)15-3-5-17(24)6-4-15)28-22(30)29-7-8-31-14(2)12-29;1-9-6-11(7-14(17)21-9)13-8-20-16(19)22-15(13)10-2-4-12(18)5-3-10;1-5-4-6-2-3-7-5/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,25,27,28,30);2-8H,1H3,(H2,19,20,22);5-6H,2-4H2,1H3/t14-;;5-/m1.1/s1
InChIKeyMYYZVBGOWQJJGR-XEKHIUTLSA-N
MW857.79 g/mol
LogP8.44
Rot. Bonds5

About 5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine

5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine (PubChem CID 163793705) has the molecular formula C43H44Cl2F2N10O3 and a molecular weight of 857.79 g/mol. Its IUPAC name is 5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine.

Molecular Properties

Compound Name5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine
PubChem CID163793705
Molecular FormulaC43H44Cl2F2N10O3
Molecular Weight857.79 g/mol
Exact Mass856.29
IUPAC Name5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine
SMILESC[C@@H]1CNCCO1.Cc1cc(-c2cnc(N)nc2-c2ccc(F)cc2)cc(Cl)n1.Cc1cc(-c2cnc(NC(=O)N3CCO[C@H](C)C3)nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C22H21ClFN5O2.C16H12ClFN4.C5H11NO/c1-13-9-16(10-19(23)26-13)18-11-25-21(27-20(18)15-3-5-17(24)6-4-15)28-22(30)29-7-8-31-14(2)12-29;1-9-6-11(7-14(17)21-9)13-8-20-16(19)22-15(13)10-2-4-12(18)5-3-10;1-5-4-6-2-3-7-5/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,25,27,28,30);2-8H,1H3,(H2,19,20,22);5-6H,2-4H2,1H3/t14-;;5-/m1.1/s1
InChIKeyMYYZVBGOWQJJGR-XEKHIUTLSA-N
XLogP8.44
TPSA166.19 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.79
LogP ≤ 58.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine?
The IUPAC name of 5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine (CID 163793705) is 5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine.
What is the SMILES notation for 5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine?
The canonical SMILES for 5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine is C[C@@H]1CNCCO1.Cc1cc(-c2cnc(N)nc2-c2ccc(F)cc2)cc(Cl)n1.Cc1cc(-c2cnc(NC(=O)N3CCO[C@H](C)C3)nc2-c2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine?
The InChIKey is MYYZVBGOWQJJGR-XEKHIUTLSA-N. The full InChI is InChI=1S/C22H21ClFN5O2.C16H12ClFN4.C5H11NO/c1-13-9-16(10-19(23)26-13)18-11-25-21(27-20(18)15-3-5-17(24)6-4-15)28-22(30)29-7-8-31-14(2)12-29;1-9-6-11(7-14(17)21-9)13-8-20-16(19)22-15(13)10-2-4-12(18)5-3-10;1-5-4-6-2-3-7-5/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,25,27,28,30);2-8H,1H3,(H2,19,20,22);5-6H,2-4H2,1H3/t14-;;5-/m1.1/s1.
What are the key properties of 5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine?
5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine has a molecular weight of 857.79 g/mol, XLogP of 8.44, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine is sourced from PubChem (CID 163793705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).