ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate

C14H22N4O2 — CID 50955687

IUPACethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)ncc2CC)CC1
InChIInChI=1S/C14H22N4O2/c1-4-12-10-15-11(3)16-13(12)17-6-8-18(9-7-17)14(19)20-5-2/h10H,4-9H2,1-3H3
InChIKeyNAUUAPPHPDYBRE-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.63
Rot. Bonds3

About ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate

ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 50955687) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID50955687
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)ncc2CC)CC1
InChIInChI=1S/C14H22N4O2/c1-4-12-10-15-11(3)16-13(12)17-6-8-18(9-7-17)14(19)20-5-2/h10H,4-9H2,1-3H3
InChIKeyNAUUAPPHPDYBRE-UHFFFAOYSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate (CID 50955687) is ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)ncc2CC)CC1.
What is the InChIKey of ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is NAUUAPPHPDYBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-12-10-15-11(3)16-13(12)17-6-8-18(9-7-17)14(19)20-5-2/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 50955687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).