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

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Related Compounds

CID 72840148
CID 72840148
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CID 72892964
CID 72892964
CID 72938924
CID 72938924
CID 72003744
CID 72003744
CID 72933882
CID 72933882
CID 154569739
CID 154569739
CID 4465092
CID 4465092
CID 58236150
CID 58236150
CID 58236173
CID 58236173
CID 59022896
CID 59022896
CID 59579860
CID 59579860

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).