ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate

C12H18N2O2 — CID 22831801

IUPACethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC)nc1C(C)C
InChIInChI=1S/C12H18N2O2/c1-5-10-13-7-9(12(15)16-6-2)11(14-10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyNMHSQRMCDIMJJI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.34
Rot. Bonds4

About ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate

ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate (PubChem CID 22831801) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate
PubChem CID22831801
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC)nc1C(C)C
InChIInChI=1S/C12H18N2O2/c1-5-10-13-7-9(12(15)16-6-2)11(14-10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyNMHSQRMCDIMJJI-UHFFFAOYSA-N
XLogP2.34
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate (CID 22831801) is ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(CC)nc1C(C)C.
What is the InChIKey of ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate?
The InChIKey is NMHSQRMCDIMJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-10-13-7-9(12(15)16-6-2)11(14-10)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate?
ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-propan-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 22831801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).