1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one

C9H14N2O5 — CID 70852632

IUPAC1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one
SMILESO=c1ccn([C@@H](OCCO)C(O)CO)cn1
InChIInChI=1S/C9H14N2O5/c12-3-4-16-9(7(14)5-13)11-2-1-8(15)10-6-11/h1-2,6-7,9,12-14H,3-5H2/t7?,9-/m0/s1
InChIKeyKPRXQAAWYZJSFK-NETXQHHPSA-N
MW230.22 g/mol
LogP-1.90
Rot. Bonds6

About 1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one

1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one (PubChem CID 70852632) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one
PubChem CID70852632
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one
SMILESO=c1ccn([C@@H](OCCO)C(O)CO)cn1
InChIInChI=1S/C9H14N2O5/c12-3-4-16-9(7(14)5-13)11-2-1-8(15)10-6-11/h1-2,6-7,9,12-14H,3-5H2/t7?,9-/m0/s1
InChIKeyKPRXQAAWYZJSFK-NETXQHHPSA-N
XLogP-1.90
TPSA104.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one?
The IUPAC name of 1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one (CID 70852632) is 1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one.
What is the SMILES notation for 1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one?
The canonical SMILES for 1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one is O=c1ccn([C@@H](OCCO)C(O)CO)cn1.
What is the InChIKey of 1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one?
The InChIKey is KPRXQAAWYZJSFK-NETXQHHPSA-N. The full InChI is InChI=1S/C9H14N2O5/c12-3-4-16-9(7(14)5-13)11-2-1-8(15)10-6-11/h1-2,6-7,9,12-14H,3-5H2/t7?,9-/m0/s1.
What are the key properties of 1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one?
1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one has a molecular weight of 230.22 g/mol, XLogP of -1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one is sourced from PubChem (CID 70852632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).