2-(3-hydroxyphenyl)-1H-pyrimidin-6-one

C10H8N2O2 — CID 43654653

IUPAC2-(3-hydroxyphenyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cccc(O)c2)[nH]1
InChIInChI=1S/C10H8N2O2/c13-8-3-1-2-7(6-8)10-11-5-4-9(14)12-10/h1-6,13H,(H,11,12,14)
InChIKeyAHJODUGRMODXIX-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.14
Rot. Bonds1

About 2-(3-hydroxyphenyl)-1H-pyrimidin-6-one

2-(3-hydroxyphenyl)-1H-pyrimidin-6-one (PubChem CID 43654653) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1H-pyrimidin-6-one
PubChem CID43654653
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(3-hydroxyphenyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cccc(O)c2)[nH]1
InChIInChI=1S/C10H8N2O2/c13-8-3-1-2-7(6-8)10-11-5-4-9(14)12-10/h1-6,13H,(H,11,12,14)
InChIKeyAHJODUGRMODXIX-UHFFFAOYSA-N
XLogP1.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6096788
CID 136186043
CID 136186043
CID 136317046
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CID 164613320
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CID 137298638
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CID 21473028
CID 21473028
CID 136272606
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CID 26966840
CID 26966840

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-hydroxyphenyl)-1H-pyrimidin-6-one (CID 43654653) is 2-(3-hydroxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-1H-pyrimidin-6-one is O=c1ccnc(-c2cccc(O)c2)[nH]1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is AHJODUGRMODXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-8-3-1-2-7(6-8)10-11-5-4-9(14)12-10/h1-6,13H,(H,11,12,14).
What are the key properties of 2-(3-hydroxyphenyl)-1H-pyrimidin-6-one?
2-(3-hydroxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 188.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 43654653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).