9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one

C7H8BrN3O — CID 82390969

IUPAC9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one
SMILESO=c1ncn2c(c1Br)NCCC2
InChIInChI=1S/C7H8BrN3O/c8-5-6-9-2-1-3-11(6)4-10-7(5)12/h4,9H,1-3H2
InChIKeyGXXRMVIFAKJDSW-UHFFFAOYSA-N
MW230.06 g/mol
LogP0.82
Rot. Bonds

About 9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one

9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one (PubChem CID 82390969) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is 9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one.

Molecular Properties

Compound Name9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one
PubChem CID82390969
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one
SMILESO=c1ncn2c(c1Br)NCCC2
InChIInChI=1S/C7H8BrN3O/c8-5-6-9-2-1-3-11(6)4-10-7(5)12/h4,9H,1-3H2
InChIKeyGXXRMVIFAKJDSW-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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Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one?
The IUPAC name of 9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one (CID 82390969) is 9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one.
What is the SMILES notation for 9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one?
The canonical SMILES for 9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one is O=c1ncn2c(c1Br)NCCC2.
What is the InChIKey of 9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one?
The InChIKey is GXXRMVIFAKJDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c8-5-6-9-2-1-3-11(6)4-10-7(5)12/h4,9H,1-3H2.
What are the key properties of 9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one?
9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-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 9-bromo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-one is sourced from PubChem (CID 82390969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).