ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate

C9H14N4O2 — CID 71220661

IUPACethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)C)nc1N
InChIInChI=1S/C9H14N4O2/c1-4-15-8(14)6-5-11-9(13(2)3)12-7(6)10/h5H,4H2,1-3H3,(H2,10,11,12)
InChIKeyDETJDBAZIFHJAT-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.30
Rot. Bonds3

About ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate

ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate (PubChem CID 71220661) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
PubChem CID71220661
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Nameethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)C)nc1N
InChIInChI=1S/C9H14N4O2/c1-4-15-8(14)6-5-11-9(13(2)3)12-7(6)10/h5H,4H2,1-3H3,(H2,10,11,12)
InChIKeyDETJDBAZIFHJAT-UHFFFAOYSA-N
XLogP0.30
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540
ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
CID 116646797
ethyl 4-amino-2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 6624907
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
ethyl 4-amino-2-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 48923573
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
CID 116782890
(2S)-2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylpropanoic acid
CID 864485
ethyl 4-amino-2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 861804
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate (CID 71220661) is ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(N(C)C)nc1N.
What is the InChIKey of ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate?
The InChIKey is DETJDBAZIFHJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-4-15-8(14)6-5-11-9(13(2)3)12-7(6)10/h5H,4H2,1-3H3,(H2,10,11,12).
What are the key properties of ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate?
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate has a molecular weight of 210.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 71220661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).