4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

C15H17N5S — CID 107801952

IUPAC4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C15H17N5S/c1-4-13-19-14(16-3)9(2)15(20-13)18-10-5-6-11-12(7-10)21-8-17-11/h5-8H,4H2,1-3H3,(H2,16,18,19,20)
InChIKeyFXHJUOMDHDSGOS-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.74
Rot. Bonds4

About 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 107801952) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID107801952
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C15H17N5S/c1-4-13-19-14(16-3)9(2)15(20-13)18-10-5-6-11-12(7-10)21-8-17-11/h5-8H,4H2,1-3H3,(H2,16,18,19,20)
InChIKeyFXHJUOMDHDSGOS-UHFFFAOYSA-N
XLogP3.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
4-N-(1,3-benzothiazol-6-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801945
4-N-(1,3-benzothiazol-6-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107802039
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 107617789
4-N-(3-bromo-4-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992119
4-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80981793
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 115379613
2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107802028
4-N-(2-chloro-4-methylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976266
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982111

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 107801952) is 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(Nc2ccc3ncsc3c2)n1.
What is the InChIKey of 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is FXHJUOMDHDSGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-4-13-19-14(16-3)9(2)15(20-13)18-10-5-6-11-12(7-10)21-8-17-11/h5-8H,4H2,1-3H3,(H2,16,18,19,20).
What are the key properties of 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 299.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 107801952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).