ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate

C14H19N3O3 — CID 116647743

IUPACethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(C2CC3CCC2O3)nc1N
InChIInChI=1S/C14H19N3O3/c1-3-19-14(18)11-7(2)16-13(17-12(11)15)9-6-8-4-5-10(9)20-8/h8-10H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyPQHJOLYGIYIDKL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds3

About ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate

ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate (PubChem CID 116647743) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate
PubChem CID116647743
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(C2CC3CCC2O3)nc1N
InChIInChI=1S/C14H19N3O3/c1-3-19-14(18)11-7(2)16-13(17-12(11)15)9-6-8-4-5-10(9)20-8/h8-10H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyPQHJOLYGIYIDKL-UHFFFAOYSA-N
XLogP1.58
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate
CID 116647833
ethyl 2-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79474682
ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate
CID 103383522
ethyl 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxylate
CID 116647825
ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate
CID 83180168
2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471842
methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate
CID 116647635
methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate
CID 116647634
ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
CID 116647802
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
2-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798498
4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide
CID 116648063

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate (CID 116647743) is ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(C2CC3CCC2O3)nc1N.
What is the InChIKey of ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate?
The InChIKey is PQHJOLYGIYIDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-19-14(18)11-7(2)16-13(17-12(11)15)9-6-8-4-5-10(9)20-8/h8-10H,3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate?
ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.58, 3 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-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116647743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).