(2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate

C10H14N2O4 — CID 67068061

IUPAC(2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate
SMILESCCC(=O)OC(c1ncccn1)C(O)CO
InChIInChI=1S/C10H14N2O4/c1-2-8(15)16-9(7(14)6-13)10-11-4-3-5-12-10/h3-5,7,9,13-14H,2,6H2,1H3
InChIKeyNKLGEFJFDSGIEM-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.18
Rot. Bonds5

About (2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate

(2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate (PubChem CID 67068061) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate.

Molecular Properties

Compound Name(2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate
PubChem CID67068061
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name(2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate
SMILESCCC(=O)OC(c1ncccn1)C(O)CO
InChIInChI=1S/C10H14N2O4/c1-2-8(15)16-9(7(14)6-13)10-11-4-3-5-12-10/h3-5,7,9,13-14H,2,6H2,1H3
InChIKeyNKLGEFJFDSGIEM-UHFFFAOYSA-N
XLogP-0.18
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate?
The IUPAC name of (2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate (CID 67068061) is (2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate.
What is the SMILES notation for (2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate?
The canonical SMILES for (2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate is CCC(=O)OC(c1ncccn1)C(O)CO.
What is the InChIKey of (2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate?
The InChIKey is NKLGEFJFDSGIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-8(15)16-9(7(14)6-13)10-11-4-3-5-12-10/h3-5,7,9,13-14H,2,6H2,1H3.
What are the key properties of (2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate?
(2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate has a molecular weight of 226.23 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxy-1-pyrimidin-2-ylpropyl) propanoate is sourced from PubChem (CID 67068061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).