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

C11H15N5O2S — CID 106384244

IUPAC4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNc1cc(NCc2csc(=O)[nH]2)nc(COC)n1
InChIInChI=1S/C11H15N5O2S/c1-12-8-3-9(16-10(15-8)5-18-2)13-4-7-6-19-11(17)14-7/h3,6H,4-5H2,1-2H3,(H,14,17)(H2,12,13,15,16)
InChIKeyYBLZZWFMRNQLBN-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.03
Rot. Bonds6

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

4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384244) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384244
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNc1cc(NCc2csc(=O)[nH]2)nc(COC)n1
InChIInChI=1S/C11H15N5O2S/c1-12-8-3-9(16-10(15-8)5-18-2)13-4-7-6-19-11(17)14-7/h3,6H,4-5H2,1-2H3,(H,14,17)(H2,12,13,15,16)
InChIKeyYBLZZWFMRNQLBN-UHFFFAOYSA-N
XLogP1.03
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181854
4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384287
2-(methoxymethyl)-6-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 113401430
4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384162
4-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384277
4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383012
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401298
4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381976
2-(methoxymethyl)-6-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 113401488
4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384246
2-(methoxymethyl)-6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114957956

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384244) is 4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is CNc1cc(NCc2csc(=O)[nH]2)nc(COC)n1.
What is the InChIKey of 4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YBLZZWFMRNQLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-12-8-3-9(16-10(15-8)5-18-2)13-4-7-6-19-11(17)14-7/h3,6H,4-5H2,1-2H3,(H,14,17)(H2,12,13,15,16).
What are the key properties of 4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 281.34 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).