N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine

C17H20N4S — CID 133472762

IUPACN-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC(C)c2nc3ccccc3s2)nc(C)n1
InChIInChI=1S/C17H20N4S/c1-4-13-9-16(20-12(3)19-13)18-10-11(2)17-21-14-7-5-6-8-15(14)22-17/h5-9,11H,4,10H2,1-3H3,(H,18,19,20)
InChIKeyZILWXOCXGHOTIN-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.17
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133472762) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID133472762
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC(C)c2nc3ccccc3s2)nc(C)n1
InChIInChI=1S/C17H20N4S/c1-4-13-9-16(20-12(3)19-13)18-10-11(2)17-21-14-7-5-6-8-15(14)22-17/h5-9,11H,4,10H2,1-3H3,(H,18,19,20)
InChIKeyZILWXOCXGHOTIN-UHFFFAOYSA-N
XLogP4.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide
CID 75469836
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71846727
2-[1-[2-(1,3-benzothiazol-2-yl)propyldisulfanyl]propan-2-yl]-1,3-benzothiazole
CID 139653481
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
CID 113230295
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721848
1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62846238
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97235757
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 46957054
6-ethyl-2-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 65417794

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 133472762) is N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NCC(C)c2nc3ccccc3s2)nc(C)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is ZILWXOCXGHOTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-4-13-9-16(20-12(3)19-13)18-10-11(2)17-21-14-7-5-6-8-15(14)22-17/h5-9,11H,4,10H2,1-3H3,(H,18,19,20).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 312.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133472762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).