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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Related Compounds

5,7-dichloroimidazo[1,2-a]pyrimidine
CID 23125107
2-chloroimidazo[1,2-a]pyrimidine
CID 14517580
7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one
CID 15548238
3-chloroimidazo[1,2-a]pyrimidine
CID 15179743
5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 13465971
1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone
CID 84671493
2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 155291153
pyrimido[1,2-a]pyrimidin-2-one
CID 13114303
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 95475392
tributyl-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]stannane
CID 140742860
6-chloroimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 83880230
3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
CID 115403477

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).