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

C11H14N4O2S — CID 136999749

IUPAC4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCc1cnc(CNc2nc[nH]c(=O)c2OC)s1
InChIInChI=1S/C11H14N4O2S/c1-3-7-4-12-8(18-7)5-13-10-9(17-2)11(16)15-6-14-10/h4,6H,3,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyAASCXTCQLVSCLE-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.41
Rot. Bonds5

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

4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136999749) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136999749
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCc1cnc(CNc2nc[nH]c(=O)c2OC)s1
InChIInChI=1S/C11H14N4O2S/c1-3-7-4-12-8(18-7)5-13-10-9(17-2)11(16)15-6-14-10/h4,6H,3,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyAASCXTCQLVSCLE-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-ethyl-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136210915
4-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxy-1H-pyrimidin-6-one
CID 136210940
ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 142506860
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methoxy-2-methylpropanamide
CID 103709224
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methoxyacetamide
CID 103709234
2-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine
CID 111465766
2-[4-[N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methylcarbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 111519401
2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111533196
2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111533197
2-[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111533492
2-[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111533493
2-[[ethylamino-[(5-ethyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111535758

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136999749) is 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is CCc1cnc(CNc2nc[nH]c(=O)c2OC)s1.
What is the InChIKey of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is AASCXTCQLVSCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-7-4-12-8(18-7)5-13-10-9(17-2)11(16)15-6-14-10/h4,6H,3,5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 266.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136999749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).