(2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine

C43H64Cl6N14O5 — CID 161446189

IUPAC(2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine
SMILESC.C.C.C[C@@H](O)CNc1cc(Cl)nc(Cl)n1.C[C@@H](O)CNc1cc(Cl)nc(N2CCOCC2)n1.Cc1ccc(N)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C18H25N5O2.C11H17ClN4O2.C7H9Cl2N3O.C4HCl3N2.3CH4/c1-12-3-4-14(19)9-15(12)16-10-17(20-11-13(2)24)22-18(21-16)23-5-7-25-8-6-23;1-8(17)7-13-10-6-9(12)14-11(15-10)16-2-4-18-5-3-16;1-4(13)3-10-6-2-5(8)11-7(9)12-6;5-2-1-3(6)9-4(7)8-2;;;/h3-4,9-10,13,24H,5-8,11,19H2,1-2H3,(H,20,21,22);6,8,17H,2-5,7H2,1H3,(H,13,14,15);2,4,13H,3H2,1H3,(H,10,11,12);1H;3*1H4/t13-;8-;4-;;;;/m111..../s1
InChIKeyVZXPBHDHCOWSBC-JUCGHDPGSA-N
MW1069.80 g/mol
LogP8.34
Rot. Bonds12

About (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine

(2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine (PubChem CID 161446189) has the molecular formula C43H64Cl6N14O5 and a molecular weight of 1069.80 g/mol. Its IUPAC name is (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine.

Molecular Properties

Compound Name(2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine
PubChem CID161446189
Molecular FormulaC43H64Cl6N14O5
Molecular Weight1069.80 g/mol
Exact Mass1066.33
IUPAC Name(2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine
SMILESC.C.C.C[C@@H](O)CNc1cc(Cl)nc(Cl)n1.C[C@@H](O)CNc1cc(Cl)nc(N2CCOCC2)n1.Cc1ccc(N)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C18H25N5O2.C11H17ClN4O2.C7H9Cl2N3O.C4HCl3N2.3CH4/c1-12-3-4-14(19)9-15(12)16-10-17(20-11-13(2)24)22-18(21-16)23-5-7-25-8-6-23;1-8(17)7-13-10-6-9(12)14-11(15-10)16-2-4-18-5-3-16;1-4(13)3-10-6-2-5(8)11-7(9)12-6;5-2-1-3(6)9-4(7)8-2;;;/h3-4,9-10,13,24H,5-8,11,19H2,1-2H3,(H,20,21,22);6,8,17H,2-5,7H2,1H3,(H,13,14,15);2,4,13H,3H2,1H3,(H,10,11,12);1H;3*1H4/t13-;8-;4-;;;;/m111..../s1
InChIKeyVZXPBHDHCOWSBC-JUCGHDPGSA-N
XLogP8.34
TPSA250.86 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001069.80
LogP ≤ 58.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine?
The IUPAC name of (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine (CID 161446189) is (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine.
What is the SMILES notation for (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine?
The canonical SMILES for (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine is C.C.C.C[C@@H](O)CNc1cc(Cl)nc(Cl)n1.C[C@@H](O)CNc1cc(Cl)nc(N2CCOCC2)n1.Cc1ccc(N)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(Cl)n1.
What is the InChIKey of (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine?
The InChIKey is VZXPBHDHCOWSBC-JUCGHDPGSA-N. The full InChI is InChI=1S/C18H25N5O2.C11H17ClN4O2.C7H9Cl2N3O.C4HCl3N2.3CH4/c1-12-3-4-14(19)9-15(12)16-10-17(20-11-13(2)24)22-18(21-16)23-5-7-25-8-6-23;1-8(17)7-13-10-6-9(12)14-11(15-10)16-2-4-18-5-3-16;1-4(13)3-10-6-2-5(8)11-7(9)12-6;5-2-1-3(6)9-4(7)8-2;;;/h3-4,9-10,13,24H,5-8,11,19H2,1-2H3,(H,20,21,22);6,8,17H,2-5,7H2,1H3,(H,13,14,15);2,4,13H,3H2,1H3,(H,10,11,12);1H;3*1H4/t13-;8-;4-;;;;/m111..../s1.
What are the key properties of (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine?
(2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine has a molecular weight of 1069.80 g/mol, XLogP of 8.34, 12 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[6-(5-amino-2-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]propan-2-ol;(2R)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol;methane;2,4,6-trichloropyrimidine is sourced from PubChem (CID 161446189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).