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

C12H19N3O3 — CID 116782890

IUPACethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)(CC)OC)nc1N
InChIInChI=1S/C12H19N3O3/c1-5-12(3,17-4)11-14-7-8(9(13)15-11)10(16)18-6-2/h7H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeyQKPNIPYQVWTVCR-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.51
Rot. Bonds5

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

ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate (PubChem CID 116782890) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
PubChem CID116782890
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)(CC)OC)nc1N
InChIInChI=1S/C12H19N3O3/c1-5-12(3,17-4)11-14-7-8(9(13)15-11)10(16)18-6-2/h7H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeyQKPNIPYQVWTVCR-UHFFFAOYSA-N
XLogP1.51
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
CID 116646797
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone
CID 116778429
ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
CID 102972538
2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775077
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-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]pyrimidine-5-carboxylate
CID 115596148
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
ethyl 4-chloro-2-(1,1-difluoroethyl)pyrimidine-5-carboxylate
CID 172639270
ethyl 4-amino-2-(4-tert-butylphenyl)pyrimidine-5-carboxylate
CID 82168426
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate (CID 116782890) is ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(C)(CC)OC)nc1N.
What is the InChIKey of ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate?
The InChIKey is QKPNIPYQVWTVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-12(3,17-4)11-14-7-8(9(13)15-11)10(16)18-6-2/h7H,5-6H2,1-4H3,(H2,13,14,15).
What are the key properties of ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate?
ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.51, 5 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-methoxybutan-2-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116782890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).