4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate

C10H11ClN2O4 — CID 10445251

IUPAC4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OC)nc(Cl)c1C
InChIInChI=1S/C10H11ClN2O4/c1-4-17-9(14)6-5(2)7(11)13-8(12-6)10(15)16-3/h4H2,1-3H3
InChIKeyUOAVDNNBBXZGNB-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.40
Rot. Bonds3

About 4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate

4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate (PubChem CID 10445251) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate
PubChem CID10445251
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OC)nc(Cl)c1C
InChIInChI=1S/C10H11ClN2O4/c1-4-17-9(14)6-5(2)7(11)13-8(12-6)10(15)16-3/h4H2,1-3H3
InChIKeyUOAVDNNBBXZGNB-UHFFFAOYSA-N
XLogP1.40
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate (CID 10445251) is 4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate is CCOC(=O)c1nc(C(=O)OC)nc(Cl)c1C.
What is the InChIKey of 4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate?
The InChIKey is UOAVDNNBBXZGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-4-17-9(14)6-5(2)7(11)13-8(12-6)10(15)16-3/h4H2,1-3H3.
What are the key properties of 4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate?
4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate has a molecular weight of 258.66 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate is sourced from PubChem (CID 10445251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).