bis(1H-pyrimidin-6-one);hydrate

C8H10N4O3 — CID 139562084

IUPACbis(1H-pyrimidin-6-one);hydrate
SMILESO.O=c1ccnc[nH]1.O=c1ccnc[nH]1
InChIInChI=1S/2C4H4N2O.H2O/c2*7-4-1-2-5-3-6-4;/h2*1-3H,(H,5,6,7);1H2
InChIKeyCWXVYNUYQQXTQQ-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.28
Rot. Bonds

About bis(1H-pyrimidin-6-one);hydrate

bis(1H-pyrimidin-6-one);hydrate (PubChem CID 139562084) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is bis(1H-pyrimidin-6-one);hydrate.

Molecular Properties

Compound Namebis(1H-pyrimidin-6-one);hydrate
PubChem CID139562084
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Namebis(1H-pyrimidin-6-one);hydrate
SMILESO.O=c1ccnc[nH]1.O=c1ccnc[nH]1
InChIInChI=1S/2C4H4N2O.H2O/c2*7-4-1-2-5-3-6-4;/h2*1-3H,(H,5,6,7);1H2
InChIKeyCWXVYNUYQQXTQQ-UHFFFAOYSA-N
XLogP-1.28
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(1H-pyrimidin-6-one);hydrate?
The IUPAC name of bis(1H-pyrimidin-6-one);hydrate (CID 139562084) is bis(1H-pyrimidin-6-one);hydrate.
What is the SMILES notation for bis(1H-pyrimidin-6-one);hydrate?
The canonical SMILES for bis(1H-pyrimidin-6-one);hydrate is O.O=c1ccnc[nH]1.O=c1ccnc[nH]1.
What is the InChIKey of bis(1H-pyrimidin-6-one);hydrate?
The InChIKey is CWXVYNUYQQXTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2O.H2O/c2*7-4-1-2-5-3-6-4;/h2*1-3H,(H,5,6,7);1H2.
What are the key properties of bis(1H-pyrimidin-6-one);hydrate?
bis(1H-pyrimidin-6-one);hydrate has a molecular weight of 210.19 g/mol, XLogP of -1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-pyrimidin-6-one);hydrate is sourced from PubChem (CID 139562084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).