ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate

C11H17N3O3 — CID 116646797

IUPACethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)(C)OC)nc1N
InChIInChI=1S/C11H17N3O3/c1-5-17-9(15)7-6-13-10(14-8(7)12)11(2,3)16-4/h6H,5H2,1-4H3,(H2,12,13,14)
InChIKeyAQEQZCIEGKVPAU-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.12
Rot. Bonds4

About ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate

ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate (PubChem CID 116646797) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
PubChem CID116646797
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)(C)OC)nc1N
InChIInChI=1S/C11H17N3O3/c1-5-17-9(15)7-6-13-10(14-8(7)12)11(2,3)16-4/h6H,5H2,1-4H3,(H2,12,13,14)
InChIKeyAQEQZCIEGKVPAU-UHFFFAOYSA-N
XLogP1.12
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
CID 116782890
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
ethyl 4-amino-2-(4-tert-butylphenyl)pyrimidine-5-carboxylate
CID 82168426
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102972953
ethyl 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanylpyrimidine-5-carboxylate
CID 16543032
ethyl 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]pyrimidine-5-carboxylate
CID 115596148
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540
ethyl 4-chloro-2-(1,1-difluoroethyl)pyrimidine-5-carboxylate
CID 172639270
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
CID 82168477
ethyl 2-(2-acetamidoethylsulfanyl)-4-aminopyrimidine-5-carboxylate
CID 78908165

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate (CID 116646797) is ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(C)(C)OC)nc1N.
What is the InChIKey of ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate?
The InChIKey is AQEQZCIEGKVPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-5-17-9(15)7-6-13-10(14-8(7)12)11(2,3)16-4/h6H,5H2,1-4H3,(H2,12,13,14).
What are the key properties of ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate?
ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116646797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).