ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate

C14H22N2O2 — CID 102972892

IUPACethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CCC(C)C)nc1CC
InChIInChI=1S/C14H22N2O2/c1-5-12-11(14(17)18-6-2)9-15-13(16-12)8-7-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyZBSLPOKYCRSXGZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.80
Rot. Bonds6

About ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate

ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate (PubChem CID 102972892) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
PubChem CID102972892
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CCC(C)C)nc1CC
InChIInChI=1S/C14H22N2O2/c1-5-12-11(14(17)18-6-2)9-15-13(16-12)8-7-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyZBSLPOKYCRSXGZ-UHFFFAOYSA-N
XLogP2.80
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
CID 102972907
ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
CID 102972785
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 4-(chloromethyl)-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 102973414
ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate
CID 102972748
ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate
CID 102972759
ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
CID 165448403
ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 102972840
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
ethyl 4-(chloromethyl)-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973418
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate (CID 102972892) is ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(CCC(C)C)nc1CC.
What is the InChIKey of ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate?
The InChIKey is ZBSLPOKYCRSXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-12-11(14(17)18-6-2)9-15-13(16-12)8-7-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate?
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 102972892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).