ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate

C14H23N5O2 — CID 107877825

IUPACethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc(NC)c2CC)CC1
InChIInChI=1S/C14H23N5O2/c1-4-11-12(15-3)16-10-17-13(11)18-6-8-19(9-7-18)14(20)21-5-2/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyYQZJSKCSWYFKKC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.36
Rot. Bonds4

About ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 107877825) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID107877825
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Nameethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc(NC)c2CC)CC1
InChIInChI=1S/C14H23N5O2/c1-4-11-12(15-3)16-10-17-13(11)18-6-8-19(9-7-18)14(20)21-5-2/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyYQZJSKCSWYFKKC-UHFFFAOYSA-N
XLogP1.36
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate (CID 107877825) is ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ncnc(NC)c2CC)CC1.
What is the InChIKey of ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is YQZJSKCSWYFKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-11-12(15-3)16-10-17-13(11)18-6-8-19(9-7-18)14(20)21-5-2/h10H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate?
ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 107877825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).