6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine

C19H24N6S — CID 19140494

IUPAC6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(Nc2nc3ccc(C)cc3s2)c1N
InChIInChI=1S/C19H24N6S/c1-3-13-6-4-5-9-25(13)18-16(20)17(21-11-22-18)24-19-23-14-8-7-12(2)10-15(14)26-19/h7-8,10-11,13H,3-6,9,20H2,1-2H3,(H,21,22,23,24)
InChIKeyIBYCLHUTPVHKRG-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.49
Rot. Bonds4

About 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine

6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine (PubChem CID 19140494) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
PubChem CID19140494
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(Nc2nc3ccc(C)cc3s2)c1N
InChIInChI=1S/C19H24N6S/c1-3-13-6-4-5-9-25(13)18-16(20)17(21-11-22-18)24-19-23-14-8-7-12(2)10-15(14)26-19/h7-8,10-11,13H,3-6,9,20H2,1-2H3,(H,21,22,23,24)
InChIKeyIBYCLHUTPVHKRG-UHFFFAOYSA-N
XLogP4.49
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine (CID 19140494) is 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine is CCC1CCCCN1c1ncnc(Nc2nc3ccc(C)cc3s2)c1N.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The InChIKey is IBYCLHUTPVHKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-3-13-6-4-5-9-25(13)18-16(20)17(21-11-22-18)24-19-23-14-8-7-12(2)10-15(14)26-19/h7-8,10-11,13H,3-6,9,20H2,1-2H3,(H,21,22,23,24).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine has a molecular weight of 368.51 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19140494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).