2-chloropyrimido[1,2-a]pyrimidin-4-one

C7H4ClN3O — CID 54857422

IUPAC2-chloropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cl)nc2ncccn12
InChIInChI=1S/C7H4ClN3O/c8-5-4-6(12)11-3-1-2-9-7(11)10-5/h1-4H
InChIKeyPBVPNLCMPNDWJL-UHFFFAOYSA-N
MW181.58 g/mol
LogP0.74
Rot. Bonds

About 2-chloropyrimido[1,2-a]pyrimidin-4-one

2-chloropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 54857422) has the molecular formula C7H4ClN3O and a molecular weight of 181.58 g/mol. Its IUPAC name is 2-chloropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloropyrimido[1,2-a]pyrimidin-4-one
PubChem CID54857422
Molecular FormulaC7H4ClN3O
Molecular Weight181.58 g/mol
Exact Mass181.00
IUPAC Name2-chloropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cl)nc2ncccn12
InChIInChI=1S/C7H4ClN3O/c8-5-4-6(12)11-3-1-2-9-7(11)10-5/h1-4H
InChIKeyPBVPNLCMPNDWJL-UHFFFAOYSA-N
XLogP0.74
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.58
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloropyrimido[1,2-a]pyrimidin-4-one (CID 54857422) is 2-chloropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloropyrimido[1,2-a]pyrimidin-4-one is O=c1cc(Cl)nc2ncccn12.
What is the InChIKey of 2-chloropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is PBVPNLCMPNDWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O/c8-5-4-6(12)11-3-1-2-9-7(11)10-5/h1-4H.
What are the key properties of 2-chloropyrimido[1,2-a]pyrimidin-4-one?
2-chloropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 181.58 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 54857422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).