methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate

C10H14N4O2 — CID 4069427

IUPACmethyl 4-pyrimidin-2-ylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H14N4O2/c1-16-10(15)14-7-5-13(6-8-14)9-11-3-2-4-12-9/h2-4H,5-8H2,1H3
InChIKeyLWLXMMAIEXYOQN-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.37
Rot. Bonds1

About methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate

methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate (PubChem CID 4069427) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-pyrimidin-2-ylpiperazine-1-carboxylate
PubChem CID4069427
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethyl 4-pyrimidin-2-ylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H14N4O2/c1-16-10(15)14-7-5-13(6-8-14)9-11-3-2-4-12-9/h2-4H,5-8H2,1H3
InChIKeyLWLXMMAIEXYOQN-UHFFFAOYSA-N
XLogP0.37
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate?
The IUPAC name of methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate (CID 4069427) is methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate?
The canonical SMILES for methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate is COC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate?
The InChIKey is LWLXMMAIEXYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-10(15)14-7-5-13(6-8-14)9-11-3-2-4-12-9/h2-4H,5-8H2,1H3.
What are the key properties of methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate?
methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate has a molecular weight of 222.25 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 4069427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).