5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one

C11H14N4O2S — CID 136975614

IUPAC5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCCc2nc(C)cs2)nc[nH]c1=O
InChIInChI=1S/C11H14N4O2S/c1-7-5-18-8(15-7)3-4-12-10-9(17-2)11(16)14-6-13-10/h5-6H,3-4H2,1-2H3,(H2,12,13,14,16)
InChIKeyVRUQIAKLFGIWPJ-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.20
Rot. Bonds5

About 5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one

5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136975614) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136975614
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCCc2nc(C)cs2)nc[nH]c1=O
InChIInChI=1S/C11H14N4O2S/c1-7-5-18-8(15-7)3-4-12-10-9(17-2)11(16)14-6-13-10/h5-6H,3-4H2,1-2H3,(H2,12,13,14,16)
InChIKeyVRUQIAKLFGIWPJ-UHFFFAOYSA-N
XLogP1.20
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136974472
4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137008774
3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 113370918
4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803553
5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one
CID 136975236
5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 136876834
2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785145
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4,6-dimethoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 63242633
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
3-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 136976704
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136975614) is 5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one is COc1c(NCCc2nc(C)cs2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is VRUQIAKLFGIWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-5-18-8(15-7)3-4-12-10-9(17-2)11(16)14-6-13-10/h5-6H,3-4H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 266.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).