1H-pyrimidin-6-one

C8H8N4O2 — CID 169429222

IUPAC1H-pyrimidin-6-one
SMILESO=c1ccnc[nH]1.O=c1ccnc[nH]1
InChIInChI=1S/2C4H4N2O/c2*7-4-1-2-5-3-6-4/h2*1-3H,(H,5,6,7)
InChIKeyQOEMDAQHYAQSCZ-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.46
Rot. Bonds

About 1H-pyrimidin-6-one

1H-pyrimidin-6-one (PubChem CID 169429222) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1H-pyrimidin-6-one.

Molecular Properties

Compound Name1H-pyrimidin-6-one
PubChem CID169429222
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1H-pyrimidin-6-one
SMILESO=c1ccnc[nH]1.O=c1ccnc[nH]1
InChIInChI=1S/2C4H4N2O/c2*7-4-1-2-5-3-6-4/h2*1-3H,(H,5,6,7)
InChIKeyQOEMDAQHYAQSCZ-UHFFFAOYSA-N
XLogP-0.46
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidin-6-one?
The IUPAC name of 1H-pyrimidin-6-one (CID 169429222) is 1H-pyrimidin-6-one.
What is the SMILES notation for 1H-pyrimidin-6-one?
The canonical SMILES for 1H-pyrimidin-6-one is O=c1ccnc[nH]1.O=c1ccnc[nH]1.
What is the InChIKey of 1H-pyrimidin-6-one?
The InChIKey is QOEMDAQHYAQSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2O/c2*7-4-1-2-5-3-6-4/h2*1-3H,(H,5,6,7).
What are the key properties of 1H-pyrimidin-6-one?
1H-pyrimidin-6-one has a molecular weight of 192.18 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidin-6-one is sourced from PubChem (CID 169429222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).