6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one

C8H12N2O2 — CID 161008719

IUPAC6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one
SMILESC=C1NC(=O)C(C(C)C)=C(O)N1
InChIInChI=1S/C8H12N2O2/c1-4(2)6-7(11)9-5(3)10-8(6)12/h4,9,11H,3H2,1-2H3,(H,10,12)
InChIKeyJJAPBIBNVFOFNM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.60
Rot. Bonds1

About 6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one

6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one (PubChem CID 161008719) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one
PubChem CID161008719
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one
SMILESC=C1NC(=O)C(C(C)C)=C(O)N1
InChIInChI=1S/C8H12N2O2/c1-4(2)6-7(11)9-5(3)10-8(6)12/h4,9,11H,3H2,1-2H3,(H,10,12)
InChIKeyJJAPBIBNVFOFNM-UHFFFAOYSA-N
XLogP0.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one?
The IUPAC name of 6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one (CID 161008719) is 6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one is C=C1NC(=O)C(C(C)C)=C(O)N1.
What is the InChIKey of 6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one?
The InChIKey is JJAPBIBNVFOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4(2)6-7(11)9-5(3)10-8(6)12/h4,9,11H,3H2,1-2H3,(H,10,12).
What are the key properties of 6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one?
6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methylidene-5-propan-2-yl-1H-pyrimidin-4-one is sourced from PubChem (CID 161008719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).