5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine

C19H23N5OS — CID 118729808

IUPAC5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)c(-c2nc3ccccc3s2)c(N2CCOCC2)n1
InChIInChI=1S/C19H23N5OS/c1-3-8-20-19-21-13(2)16(17(23-19)24-9-11-25-12-10-24)18-22-14-6-4-5-7-15(14)26-18/h4-7H,3,8-12H2,1-2H3,(H,20,21,23)
InChIKeyZUYRUYWQHQBHPE-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.72
Rot. Bonds5

About 5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine

5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine (PubChem CID 118729808) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine
PubChem CID118729808
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)c(-c2nc3ccccc3s2)c(N2CCOCC2)n1
InChIInChI=1S/C19H23N5OS/c1-3-8-20-19-21-13(2)16(17(23-19)24-9-11-25-12-10-24)18-22-14-6-4-5-7-15(14)26-18/h4-7H,3,8-12H2,1-2H3,(H,20,21,23)
InChIKeyZUYRUYWQHQBHPE-UHFFFAOYSA-N
XLogP3.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine (CID 118729808) is 5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine is CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N2CCOCC2)n1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine?
The InChIKey is ZUYRUYWQHQBHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-3-8-20-19-21-13(2)16(17(23-19)24-9-11-25-12-10-24)18-22-14-6-4-5-7-15(14)26-18/h4-7H,3,8-12H2,1-2H3,(H,20,21,23).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine?
5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine has a molecular weight of 369.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-4-methyl-6-morpholin-4-yl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 118729808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).