3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

C7H8BrN3O — CID 136699707

IUPAC3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)cnc2n1CCCN2
InChIInChI=1S/C7H8BrN3O/c8-5-4-10-7-9-2-1-3-11(7)6(5)12/h4H,1-3H2,(H,9,10)
InChIKeyJNERRMMEESWPAJ-UHFFFAOYSA-N
MW230.06 g/mol
LogP0.82
Rot. Bonds

About 3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 136699707) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is 3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID136699707
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)cnc2n1CCCN2
InChIInChI=1S/C7H8BrN3O/c8-5-4-10-7-9-2-1-3-11(7)6(5)12/h4H,1-3H2,(H,9,10)
InChIKeyJNERRMMEESWPAJ-UHFFFAOYSA-N
XLogP0.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 66314500
5-bromo-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 124016738
1H,2H,3H,4H,6H-Pyrimido[1,2-A][1,3]diazin-6-one
CID 135738618
6,7,8,9-Tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 141077396
5-Bromo-2-(ethylamino)-3-methylpyrimidin-4-one
CID 168966508
7-Bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
CID 170056549
9-Bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one
CID 82390969
8-amino-1H,2H,3H,4H,6H-pyrimido[1,2-a][1,3]diazin-6-one
CID 136923893
5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one
CID 158759436

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 136699707) is 3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is O=c1c(Br)cnc2n1CCCN2.
What is the InChIKey of 3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is JNERRMMEESWPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c8-5-4-10-7-9-2-1-3-11(7)6(5)12/h4H,1-3H2,(H,9,10).
What are the key properties of 3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 230.06 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136699707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).