5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine

C22H22Cl3N11O — CID 158128840

IUPAC5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2cc(Cl)nc(Cl)n2)cn1.CNc1ncc(-c2cc(N3CCOCC3)nc(Cl)n2)cn1
InChIInChI=1S/C13H15ClN6O.C9H7Cl2N5/c1-15-13-16-7-9(8-17-13)10-6-11(19-12(14)18-10)20-2-4-21-5-3-20;1-12-9-13-3-5(4-14-9)6-2-7(10)16-8(11)15-6/h6-8H,2-5H2,1H3,(H,15,16,17);2-4H,1H3,(H,12,13,14)
InChIKeyFSNBNUUOUFBZGN-UHFFFAOYSA-N
MW562.85 g/mol
LogP3.75
Rot. Bonds5

About 5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine

5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine (PubChem CID 158128840) has the molecular formula C22H22Cl3N11O and a molecular weight of 562.85 g/mol. Its IUPAC name is 5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine
PubChem CID158128840
Molecular FormulaC22H22Cl3N11O
Molecular Weight562.85 g/mol
Exact Mass561.11
IUPAC Name5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2cc(Cl)nc(Cl)n2)cn1.CNc1ncc(-c2cc(N3CCOCC3)nc(Cl)n2)cn1
InChIInChI=1S/C13H15ClN6O.C9H7Cl2N5/c1-15-13-16-7-9(8-17-13)10-6-11(19-12(14)18-10)20-2-4-21-5-3-20;1-12-9-13-3-5(4-14-9)6-2-7(10)16-8(11)15-6/h6-8H,2-5H2,1H3,(H,15,16,17);2-4H,1H3,(H,12,13,14)
InChIKeyFSNBNUUOUFBZGN-UHFFFAOYSA-N
XLogP3.75
TPSA139.65 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.85
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

N-(3-chlorophenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
CID 19689599
5-(2,5-Dichloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381594
5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381673
5-(2-morpholino-6-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53318782
4-Chloro-5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-2-pyridinamine
CID 59507602
N-[6-(6-amino-4-chloro-3-pyridinyl)-2-(4-morpholinyl)-4-pyrimidinyl]-3-quinolinamine
CID 59507663
5-(2,6-Dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine
CID 59507839
5-(2,6-Dimorpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 59507937
N'-(5-((3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(4-morpholinylmethyl)-2-pyridinyl)amino)-2-chloro-3-pyridinyl)-N,N-dimethylsulfamide
CID 59548260
N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-ylamino)-2-chloropyridin-3-YL)morpholine-4-sulfonamide
CID 59548444
2-N-(3-chloro-4-fluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494015
5-[3-(2-Chloro-phenyl)-propyl]-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine
CID 10938974

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine (CID 158128840) is 5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine is CNc1ncc(-c2cc(Cl)nc(Cl)n2)cn1.CNc1ncc(-c2cc(N3CCOCC3)nc(Cl)n2)cn1.
What is the InChIKey of 5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine?
The InChIKey is FSNBNUUOUFBZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O.C9H7Cl2N5/c1-15-13-16-7-9(8-17-13)10-6-11(19-12(14)18-10)20-2-4-21-5-3-20;1-12-9-13-3-5(4-14-9)6-2-7(10)16-8(11)15-6/h6-8H,2-5H2,1H3,(H,15,16,17);2-4H,1H3,(H,12,13,14).
What are the key properties of 5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine?
5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine has a molecular weight of 562.85 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)-N-methylpyrimidin-2-amine;5-(2,6-dichloropyrimidin-4-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 158128840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).