ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate

C16H18N2O4 — CID 22594884

IUPACethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(C)c(=O)c1OCc1ccccc1
InChIInChI=1S/C16H18N2O4/c1-4-21-16(20)13-14(15(19)18(3)11(2)17-13)22-10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
InChIKeyYJLVNLKIWKXGIQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.84
Rot. Bonds5

About ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate

ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate (PubChem CID 22594884) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
PubChem CID22594884
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(C)c(=O)c1OCc1ccccc1
InChIInChI=1S/C16H18N2O4/c1-4-21-16(20)13-14(15(19)18(3)11(2)17-13)22-10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
InChIKeyYJLVNLKIWKXGIQ-UHFFFAOYSA-N
XLogP1.84
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate?
The IUPAC name of ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate (CID 22594884) is ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate?
The canonical SMILES for ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate is CCOC(=O)c1nc(C)n(C)c(=O)c1OCc1ccccc1.
What is the InChIKey of ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate?
The InChIKey is YJLVNLKIWKXGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-21-16(20)13-14(15(19)18(3)11(2)17-13)22-10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate?
ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate is sourced from PubChem (CID 22594884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).