ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate

C13H16N4O2 — CID 59517817

IUPACethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2cccc2)nc1N(C)C
InChIInChI=1S/C13H16N4O2/c1-4-19-12(18)10-9-14-13(15-11(10)16(2)3)17-7-5-6-8-17/h5-9H,4H2,1-3H3
InChIKeyIZWADJRLTOLYOG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.51
Rot. Bonds4

About ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate

ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate (PubChem CID 59517817) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate
PubChem CID59517817
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2cccc2)nc1N(C)C
InChIInChI=1S/C13H16N4O2/c1-4-19-12(18)10-9-14-13(15-11(10)16(2)3)17-7-5-6-8-17/h5-9H,4H2,1-3H3
InChIKeyIZWADJRLTOLYOG-UHFFFAOYSA-N
XLogP1.51
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate
CID 59517812
ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate
CID 59517572
ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517799
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate
CID 67099878
ethyl 2-[1H-benzimidazol-2-yl(sulfinyl)methyl]-4-(dimethylamino)pyrimidine-5-carboxylate
CID 22394129
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
ethyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 67983089
ethyl 4-methyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 46397674
ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
CID 83179327
ethyl 2-[benzyl(methyl)amino]-4-phenylpyrimidine-5-carboxylate
CID 68644845
ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 134914387

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate (CID 59517817) is ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2cccc2)nc1N(C)C.
What is the InChIKey of ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate?
The InChIKey is IZWADJRLTOLYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-4-19-12(18)10-9-14-13(15-11(10)16(2)3)17-7-5-6-8-17/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate?
ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylamino)-2-pyrrol-1-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 59517817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).