(2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate

C9H11N3O3 — CID 66616667

IUPAC(2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate
SMILESO=C(O)Oc1cnc(N2CCCC2)nc1
InChIInChI=1S/C9H11N3O3/c13-9(14)15-7-5-10-8(11-6-7)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14)
InChIKeyLUVBDYFXDAFDTI-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.13
Rot. Bonds2

About (2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate

(2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate (PubChem CID 66616667) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate
PubChem CID66616667
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name(2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate
SMILESO=C(O)Oc1cnc(N2CCCC2)nc1
InChIInChI=1S/C9H11N3O3/c13-9(14)15-7-5-10-8(11-6-7)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14)
InChIKeyLUVBDYFXDAFDTI-UHFFFAOYSA-N
XLogP1.13
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate?
The IUPAC name of (2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate (CID 66616667) is (2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate.
What is the SMILES notation for (2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate?
The canonical SMILES for (2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate is O=C(O)Oc1cnc(N2CCCC2)nc1.
What is the InChIKey of (2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate?
The InChIKey is LUVBDYFXDAFDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-9(14)15-7-5-10-8(11-6-7)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14).
What are the key properties of (2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate?
(2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate has a molecular weight of 209.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-1-ylpyrimidin-5-yl) hydrogen carbonate is sourced from PubChem (CID 66616667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).