4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

C11H15N5OS — CID 114181854

IUPAC4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCc1nc(NC)cc(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C11H15N5OS/c1-3-8-15-9(12-2)4-10(16-8)13-5-7-6-18-11(17)14-7/h4,6H,3,5H2,1-2H3,(H,14,17)(H2,12,13,15,16)
InChIKeyCOPMPNZOFDCHFD-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.44
Rot. Bonds5

About 4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181854) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181854
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCc1nc(NC)cc(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C11H15N5OS/c1-3-8-15-9(12-2)4-10(16-8)13-5-7-6-18-11(17)14-7/h4,6H,3,5H2,1-2H3,(H,14,17)(H2,12,13,15,16)
InChIKeyCOPMPNZOFDCHFD-UHFFFAOYSA-N
XLogP1.44
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384244
4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384287
4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383012
4-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384277
2-ethyl-6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933272
4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384162
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381976
4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384246
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile
CID 106381406
4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384084
4-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384083

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 114181854) is 4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is CCc1nc(NC)cc(NCc2csc(=O)[nH]2)n1.
What is the InChIKey of 4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is COPMPNZOFDCHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-8-15-9(12-2)4-10(16-8)13-5-7-6-18-11(17)14-7/h4,6H,3,5H2,1-2H3,(H,14,17)(H2,12,13,15,16).
What are the key properties of 4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 265.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).