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

C15H25N3O2 — CID 102972785

IUPACethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CCN(CC)CC)nc1CC
InChIInChI=1S/C15H25N3O2/c1-5-13-12(15(19)20-8-4)11-16-14(17-13)9-10-18(6-2)7-3/h11H,5-10H2,1-4H3
InChIKeyPXJXYEJLBXGKAN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.10
Rot. Bonds8

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

ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate (PubChem CID 102972785) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
PubChem CID102972785
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nameethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CCN(CC)CC)nc1CC
InChIInChI=1S/C15H25N3O2/c1-5-13-12(15(19)20-8-4)11-16-14(17-13)9-10-18(6-2)7-3/h11H,5-10H2,1-4H3
InChIKeyPXJXYEJLBXGKAN-UHFFFAOYSA-N
XLogP2.10
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate
CID 102972759
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
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
CID 102972907
ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
CID 165448403
ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 102972840
ethyl 4-(chloromethyl)-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973418
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801
ethyl 4-(chloromethyl)-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 102973414
ethyl 4-ethyl-2-(2H-triazol-4-yl)pyrimidine-5-carboxylate
CID 102972829

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate (CID 102972785) is ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(CCN(CC)CC)nc1CC.
What is the InChIKey of ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate?
The InChIKey is PXJXYEJLBXGKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-13-12(15(19)20-8-4)11-16-14(17-13)9-10-18(6-2)7-3/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate?
ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).