ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate

C13H21N5O4 — CID 171383901

IUPACethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate
SMILESCCOC(=O)CNc1nc(N(C)C)nc(C(=O)OCC)c1N
InChIInChI=1S/C13H21N5O4/c1-5-21-8(19)7-15-11-9(14)10(12(20)22-6-2)16-13(17-11)18(3)4/h5-7,14H2,1-4H3,(H,15,16,17)
InChIKeyPCQNVVRPRJGQCA-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.28
Rot. Bonds7

About ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate

ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate (PubChem CID 171383901) has the molecular formula C13H21N5O4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate
PubChem CID171383901
Molecular FormulaC13H21N5O4
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Nameethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate
SMILESCCOC(=O)CNc1nc(N(C)C)nc(C(=O)OCC)c1N
InChIInChI=1S/C13H21N5O4/c1-5-21-8(19)7-15-11-9(14)10(12(20)22-6-2)16-13(17-11)18(3)4/h5-7,14H2,1-4H3,(H,15,16,17)
InChIKeyPCQNVVRPRJGQCA-UHFFFAOYSA-N
XLogP0.28
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80789784
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
CID 80789883
ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
CID 114995528
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]acetate
CID 102756332
ethyl 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80816508
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate
CID 80993875
ethyl 5-amino-2,6-bis[2-(2-ethoxy-2-oxoethoxy)anilino]pyrimidine-4-carboxylate
CID 174488881
ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
CID 80789885
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671
ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate
CID 80915400

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate (CID 171383901) is ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate is CCOC(=O)CNc1nc(N(C)C)nc(C(=O)OCC)c1N.
What is the InChIKey of ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate?
The InChIKey is PCQNVVRPRJGQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O4/c1-5-21-8(19)7-15-11-9(14)10(12(20)22-6-2)16-13(17-11)18(3)4/h5-7,14H2,1-4H3,(H,15,16,17).
What are the key properties of ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate?
ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate is sourced from PubChem (CID 171383901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).