2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine

C15H21N5OS — CID 110257859

IUPAC2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine
SMILESCc1csc(CCNc2cc(C3COCCN3)nc(C)n2)n1
InChIInChI=1S/C15H21N5OS/c1-10-9-22-15(18-10)3-4-17-14-7-12(19-11(2)20-14)13-8-21-6-5-16-13/h7,9,13,16H,3-6,8H2,1-2H3,(H,17,19,20)
InChIKeyCQDTWJPDJYRFMN-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.87
Rot. Bonds5

About 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine

2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine (PubChem CID 110257859) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine
PubChem CID110257859
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine
SMILESCc1csc(CCNc2cc(C3COCCN3)nc(C)n2)n1
InChIInChI=1S/C15H21N5OS/c1-10-9-22-15(18-10)3-4-17-14-7-12(19-11(2)20-14)13-8-21-6-5-16-13/h7,9,13,16H,3-6,8H2,1-2H3,(H,17,19,20)
InChIKeyCQDTWJPDJYRFMN-UHFFFAOYSA-N
XLogP1.87
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-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 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine (CID 110257859) is 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine is Cc1csc(CCNc2cc(C3COCCN3)nc(C)n2)n1.
What is the InChIKey of 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine?
The InChIKey is CQDTWJPDJYRFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-9-22-15(18-10)3-4-17-14-7-12(19-11(2)20-14)13-8-21-6-5-16-13/h7,9,13,16H,3-6,8H2,1-2H3,(H,17,19,20).
What are the key properties of 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine?
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine has a molecular weight of 319.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 110257859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).