3-[(2R)-2-hydroxypropyl]pyrimidin-4-one

C7H10N2O2 — CID 103935381

IUPAC3-[(2R)-2-hydroxypropyl]pyrimidin-4-one
SMILESC[C@@H](O)Cn1cnccc1=O
InChIInChI=1S/C7H10N2O2/c1-6(10)4-9-5-8-3-2-7(9)11/h2-3,5-6,10H,4H2,1H3/t6-/m1/s1
InChIKeyFQYYPKZCYUIKSS-ZCFIWIBFSA-N
MW154.17 g/mol
LogP-0.38
Rot. Bonds2

About 3-[(2R)-2-hydroxypropyl]pyrimidin-4-one

3-[(2R)-2-hydroxypropyl]pyrimidin-4-one (PubChem CID 103935381) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxypropyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2R)-2-hydroxypropyl]pyrimidin-4-one
PubChem CID103935381
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-[(2R)-2-hydroxypropyl]pyrimidin-4-one
SMILESC[C@@H](O)Cn1cnccc1=O
InChIInChI=1S/C7H10N2O2/c1-6(10)4-9-5-8-3-2-7(9)11/h2-3,5-6,10H,4H2,1H3/t6-/m1/s1
InChIKeyFQYYPKZCYUIKSS-ZCFIWIBFSA-N
XLogP-0.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxypropyl]pyrimidin-4-one?
The IUPAC name of 3-[(2R)-2-hydroxypropyl]pyrimidin-4-one (CID 103935381) is 3-[(2R)-2-hydroxypropyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(2R)-2-hydroxypropyl]pyrimidin-4-one?
The canonical SMILES for 3-[(2R)-2-hydroxypropyl]pyrimidin-4-one is C[C@@H](O)Cn1cnccc1=O.
What is the InChIKey of 3-[(2R)-2-hydroxypropyl]pyrimidin-4-one?
The InChIKey is FQYYPKZCYUIKSS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6(10)4-9-5-8-3-2-7(9)11/h2-3,5-6,10H,4H2,1H3/t6-/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxypropyl]pyrimidin-4-one?
3-[(2R)-2-hydroxypropyl]pyrimidin-4-one has a molecular weight of 154.17 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxypropyl]pyrimidin-4-one is sourced from PubChem (CID 103935381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).