6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine

C19H17N5S — CID 70977817

IUPAC6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCc1nc(NC(C)c2cccnc2)cc(-c2ccc3ncsc3c2)n1
InChIInChI=1S/C19H17N5S/c1-12(15-4-3-7-20-10-15)22-19-9-17(23-13(2)24-19)14-5-6-16-18(8-14)25-11-21-16/h3-12H,1-2H3,(H,22,23,24)
InChIKeyGOWFVOXLGYVCIS-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.63
Rot. Bonds4

About 6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine

6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine (PubChem CID 70977817) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
PubChem CID70977817
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCc1nc(NC(C)c2cccnc2)cc(-c2ccc3ncsc3c2)n1
InChIInChI=1S/C19H17N5S/c1-12(15-4-3-7-20-10-15)22-19-9-17(23-13(2)24-19)14-5-6-16-18(8-14)25-11-21-16/h3-12H,1-2H3,(H,22,23,24)
InChIKeyGOWFVOXLGYVCIS-UHFFFAOYSA-N
XLogP4.63
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine 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-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine (CID 70977817) is 6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine is Cc1nc(NC(C)c2cccnc2)cc(-c2ccc3ncsc3c2)n1.
What is the InChIKey of 6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is GOWFVOXLGYVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-12(15-4-3-7-20-10-15)22-19-9-17(23-13(2)24-19)14-5-6-16-18(8-14)25-11-21-16/h3-12H,1-2H3,(H,22,23,24).
What are the key properties of 6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 347.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-yl)-2-methyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 70977817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).