N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine

C14H14N6OS — CID 122282532

IUPACN-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine
SMILESc1cc(Nc2cc(N3CCOCC3)ncn2)c2nsnc2c1
InChIInChI=1S/C14H14N6OS/c1-2-10(14-11(3-1)18-22-19-14)17-12-8-13(16-9-15-12)20-4-6-21-7-5-20/h1-3,8-9H,4-7H2,(H,15,16,17)
InChIKeyLFEBQKXZOFOLEB-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.06
Rot. Bonds3

About N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine

N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 122282532) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound NameN-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID122282532
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC NameN-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine
SMILESc1cc(Nc2cc(N3CCOCC3)ncn2)c2nsnc2c1
InChIInChI=1S/C14H14N6OS/c1-2-10(14-11(3-1)18-22-19-14)17-12-8-13(16-9-15-12)20-4-6-21-7-5-20/h1-3,8-9H,4-7H2,(H,15,16,17)
InChIKeyLFEBQKXZOFOLEB-UHFFFAOYSA-N
XLogP2.06
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122328125
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112864664
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127
N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282510
N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282579
6-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
CID 122282498
N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857173
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101
N-(4-methyl-2-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282546
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 112857141
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 113192860

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine (CID 122282532) is N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine is c1cc(Nc2cc(N3CCOCC3)ncn2)c2nsnc2c1.
What is the InChIKey of N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is LFEBQKXZOFOLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-2-10(14-11(3-1)18-22-19-14)17-12-8-13(16-9-15-12)20-4-6-21-7-5-20/h1-3,8-9H,4-7H2,(H,15,16,17).
What are the key properties of N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine?
N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 314.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-ylpyrimidin-4-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 122282532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).