ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate

C10H13N3O3 — CID 165355707

IUPACethyl 4-acetamido-2-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1NC(C)=O
InChIInChI=1S/C10H13N3O3/c1-4-16-10(15)8-5-11-6(2)12-9(8)13-7(3)14/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyULDVOGSZWPDXOI-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.92
Rot. Bonds3

About ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate

ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate (PubChem CID 165355707) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetamido-2-methylpyrimidine-5-carboxylate
PubChem CID165355707
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Nameethyl 4-acetamido-2-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1NC(C)=O
InChIInChI=1S/C10H13N3O3/c1-4-16-10(15)8-5-11-6(2)12-9(8)13-7(3)14/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyULDVOGSZWPDXOI-UHFFFAOYSA-N
XLogP0.92
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate (CID 165355707) is ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C)nc1NC(C)=O.
What is the InChIKey of ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate?
The InChIKey is ULDVOGSZWPDXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-4-16-10(15)8-5-11-6(2)12-9(8)13-7(3)14/h5H,4H2,1-3H3,(H,11,12,13,14).
What are the key properties of ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate?
ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetamido-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 165355707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).