1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone

C15H14N6OS — CID 72936662

IUPAC1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCc2csc(-c3ncccn3)n2)nc1C
InChIInChI=1S/C15H14N6OS/c1-9-12(10(2)22)7-19-15(20-9)18-6-11-8-23-14(21-11)13-16-4-3-5-17-13/h3-5,7-8H,6H2,1-2H3,(H,18,19,20)
InChIKeyHNSAUZWYZRFRJM-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.51
Rot. Bonds5

About 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone

1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone (PubChem CID 72936662) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone
PubChem CID72936662
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCc2csc(-c3ncccn3)n2)nc1C
InChIInChI=1S/C15H14N6OS/c1-9-12(10(2)22)7-19-15(20-9)18-6-11-8-23-14(21-11)13-16-4-3-5-17-13/h3-5,7-8H,6H2,1-2H3,(H,18,19,20)
InChIKeyHNSAUZWYZRFRJM-UHFFFAOYSA-N
XLogP2.51
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone 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 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone (CID 72936662) is 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone is CC(=O)c1cnc(NCc2csc(-c3ncccn3)n2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone?
The InChIKey is HNSAUZWYZRFRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-9-12(10(2)22)7-19-15(20-9)18-6-11-8-23-14(21-11)13-16-4-3-5-17-13/h3-5,7-8H,6H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone?
1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone has a molecular weight of 326.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 72936662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).