ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate

C13H21N3O2 — CID 102972867

IUPACethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(CC)CC)nc1CC
InChIInChI=1S/C13H21N3O2/c1-5-11-10(12(17)18-8-4)9-14-13(15-11)16(6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyRVIQFJNLMYJTFU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.06
Rot. Bonds6

About ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate

ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate (PubChem CID 102972867) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
PubChem CID102972867
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(CC)CC)nc1CC
InChIInChI=1S/C13H21N3O2/c1-5-11-10(12(17)18-8-4)9-14-13(15-11)16(6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyRVIQFJNLMYJTFU-UHFFFAOYSA-N
XLogP2.06
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
CID 102972785
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
ethyl 4-ethyl-2-(2H-triazol-4-yl)pyrimidine-5-carboxylate
CID 102972829
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
CID 165448403
ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107918029
ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
CID 102972907
ethyl 4-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylate
CID 102972902
ethyl 4-ethyl-2-[2-(2-methoxyethoxy)ethyl]pyrimidine-5-carboxylate
CID 102972911
2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid
CID 83178261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate (CID 102972867) is ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N(CC)CC)nc1CC.
What is the InChIKey of ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate?
The InChIKey is RVIQFJNLMYJTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-11-10(12(17)18-8-4)9-14-13(15-11)16(6-2)7-3/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate?
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).