ethyl 6-methoxypyrimidine-4-carboximidate

C8H11N3O2 — CID 102952465

IUPACethyl 6-methoxypyrimidine-4-carboximidate
SMILES[H]/N=C(\OCC)c1cc(OC)ncn1
InChIInChI=1S/C8H11N3O2/c1-3-13-8(9)6-4-7(12-2)11-5-10-6/h4-5,9H,3H2,1-2H3/b9-8-
InChIKeyXHSIMXWEEJBZLU-HJWRWDBZSA-N
MW181.19 g/mol
LogP0.85
Rot. Bonds3

About ethyl 6-methoxypyrimidine-4-carboximidate

ethyl 6-methoxypyrimidine-4-carboximidate (PubChem CID 102952465) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 6-methoxypyrimidine-4-carboximidate.

Molecular Properties

Compound Nameethyl 6-methoxypyrimidine-4-carboximidate
PubChem CID102952465
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nameethyl 6-methoxypyrimidine-4-carboximidate
SMILES[H]/N=C(\OCC)c1cc(OC)ncn1
InChIInChI=1S/C8H11N3O2/c1-3-13-8(9)6-4-7(12-2)11-5-10-6/h4-5,9H,3H2,1-2H3/b9-8-
InChIKeyXHSIMXWEEJBZLU-HJWRWDBZSA-N
XLogP0.85
TPSA68.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide
CID 102952969
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167291
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 121167340
butane;ethane;4-methoxy-6-methylpyrimidine
CID 143694997
O-(6-methoxypyrimidin-4-yl)hydroxylamine
CID 79421362
2-(6-ethoxypyrimidin-4-yl)ethanimidamide
CID 83875449
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
ethane;4-methoxy-6-methylpyrimidine;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173416669
(4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone
CID 102950174
2-ethoxy-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950788
ethyl 5-bromopyridine-3-carboximidate
CID 79018458

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxypyrimidine-4-carboximidate?
The IUPAC name of ethyl 6-methoxypyrimidine-4-carboximidate (CID 102952465) is ethyl 6-methoxypyrimidine-4-carboximidate.
What is the SMILES notation for ethyl 6-methoxypyrimidine-4-carboximidate?
The canonical SMILES for ethyl 6-methoxypyrimidine-4-carboximidate is [H]/N=C(\OCC)c1cc(OC)ncn1.
What is the InChIKey of ethyl 6-methoxypyrimidine-4-carboximidate?
The InChIKey is XHSIMXWEEJBZLU-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-13-8(9)6-4-7(12-2)11-5-10-6/h4-5,9H,3H2,1-2H3/b9-8-.
What are the key properties of ethyl 6-methoxypyrimidine-4-carboximidate?
ethyl 6-methoxypyrimidine-4-carboximidate has a molecular weight of 181.19 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxypyrimidine-4-carboximidate is sourced from PubChem (CID 102952465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).