ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate

C12H19N3O3 — CID 116647711

IUPACethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
SMILESCCCOCc1nc(C)c(C(=O)OCC)c(N)n1
InChIInChI=1S/C12H19N3O3/c1-4-6-17-7-9-14-8(3)10(11(13)15-9)12(16)18-5-2/h4-7H2,1-3H3,(H2,13,14,15)
InChIKeyKGOPMGQNTGUMMF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.47
Rot. Bonds6

About ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate

ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate (PubChem CID 116647711) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
PubChem CID116647711
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
SMILESCCCOCc1nc(C)c(C(=O)OCC)c(N)n1
InChIInChI=1S/C12H19N3O3/c1-4-6-17-7-9-14-8(3)10(11(13)15-9)12(16)18-5-2/h4-7H2,1-3H3,(H2,13,14,15)
InChIKeyKGOPMGQNTGUMMF-UHFFFAOYSA-N
XLogP1.47
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-6-methyl-2-(propylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647749
ethyl 4-amino-6-methyl-2-(phenoxymethyl)pyrimidine-5-carboxylate
CID 116647779
ethyl 4-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 102972374
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 4-amino-6-methyl-2-(phenylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647714
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide
CID 103477251
ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate
CID 116647754
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 116647606
[5-ethyl-6-methyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine
CID 62251421
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate (CID 116647711) is ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate is CCCOCc1nc(C)c(C(=O)OCC)c(N)n1.
What is the InChIKey of ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate?
The InChIKey is KGOPMGQNTGUMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-6-17-7-9-14-8(3)10(11(13)15-9)12(16)18-5-2/h4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate?
ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116647711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).