(2-aminopyrimidin-5-yl) piperazine-1-carboxylate

C9H13N5O2 — CID 130176333

IUPAC(2-aminopyrimidin-5-yl) piperazine-1-carboxylate
SMILESNc1ncc(OC(=O)N2CCNCC2)cn1
InChIInChI=1S/C9H13N5O2/c10-8-12-5-7(6-13-8)16-9(15)14-3-1-11-2-4-14/h5-6,11H,1-4H2,(H2,10,12,13)
InChIKeyWJVGQNRDAYLGJW-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.54
Rot. Bonds1

About (2-aminopyrimidin-5-yl) piperazine-1-carboxylate

(2-aminopyrimidin-5-yl) piperazine-1-carboxylate (PubChem CID 130176333) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is (2-aminopyrimidin-5-yl) piperazine-1-carboxylate.

Molecular Properties

Compound Name(2-aminopyrimidin-5-yl) piperazine-1-carboxylate
PubChem CID130176333
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name(2-aminopyrimidin-5-yl) piperazine-1-carboxylate
SMILESNc1ncc(OC(=O)N2CCNCC2)cn1
InChIInChI=1S/C9H13N5O2/c10-8-12-5-7(6-13-8)16-9(15)14-3-1-11-2-4-14/h5-6,11H,1-4H2,(H2,10,12,13)
InChIKeyWJVGQNRDAYLGJW-UHFFFAOYSA-N
XLogP-0.54
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-aminopyrimidin-5-yl) piperazine-1-carboxylate?
The IUPAC name of (2-aminopyrimidin-5-yl) piperazine-1-carboxylate (CID 130176333) is (2-aminopyrimidin-5-yl) piperazine-1-carboxylate.
What is the SMILES notation for (2-aminopyrimidin-5-yl) piperazine-1-carboxylate?
The canonical SMILES for (2-aminopyrimidin-5-yl) piperazine-1-carboxylate is Nc1ncc(OC(=O)N2CCNCC2)cn1.
What is the InChIKey of (2-aminopyrimidin-5-yl) piperazine-1-carboxylate?
The InChIKey is WJVGQNRDAYLGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-8-12-5-7(6-13-8)16-9(15)14-3-1-11-2-4-14/h5-6,11H,1-4H2,(H2,10,12,13).
What are the key properties of (2-aminopyrimidin-5-yl) piperazine-1-carboxylate?
(2-aminopyrimidin-5-yl) piperazine-1-carboxylate has a molecular weight of 223.24 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopyrimidin-5-yl) piperazine-1-carboxylate is sourced from PubChem (CID 130176333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).