ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate

C16H17N3O3 — CID 873454

IUPACethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(C)=O
InChIInChI=1S/C16H17N3O3/c1-4-22-16(21)13-10(2)17-14(12-8-6-5-7-9-12)19-15(13)18-11(3)20/h5-9H,4H2,1-3H3,(H,17,18,19,20)
InChIKeyGMPBFIJRKTXKQR-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.59
Rot. Bonds4

About ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate

ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate (PubChem CID 873454) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate
PubChem CID873454
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Nameethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(C)=O
InChIInChI=1S/C16H17N3O3/c1-4-22-16(21)13-10(2)17-14(12-8-6-5-7-9-12)19-15(13)18-11(3)20/h5-9H,4H2,1-3H3,(H,17,18,19,20)
InChIKeyGMPBFIJRKTXKQR-UHFFFAOYSA-N
XLogP2.59
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-amino-6-methyl-2-phenyl-5-pyrimidinecarboxylate
CID 611239
N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide
CID 726949
Ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
Ethyl 4-methyl-2-phenyl-6-(propanoylamino)pyrimidine-5-carboxylate
CID 830687
N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide
CID 873515
N-(5-acetyl-2,6-dimethyl-4-pyrimidinyl)-2-phenylacetamide
CID 873978
N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide
CID 840037
N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)acetamide
CID 873523
Ethyl 4-(isobutyrylamino)-6-methyl-2-phenyl-5-pyrimidinecarboxylate
CID 830688
Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carboxylate
CID 17989605
Methyl 2-(benzylamino)-4-methyl-6-phenyl-pyrimidine-5-carboxylate
CID 11771954
Ethyl 2-(3-aminoanilino)-4-methyl-6-phenyl-pyrimidine-5-carboxylate
CID 53248771

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate (CID 873454) is ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(C)=O.
What is the InChIKey of ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate?
The InChIKey is GMPBFIJRKTXKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-4-22-16(21)13-10(2)17-14(12-8-6-5-7-9-12)19-15(13)18-11(3)20/h5-9H,4H2,1-3H3,(H,17,18,19,20).
What are the key properties of ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate?
ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetamido-6-methyl-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 873454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).