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

C8H10BrN3O — CID 170056549

IUPAC7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
SMILESCC1CCn2c(ncc(Br)c2=O)N1
InChIInChI=1S/C8H10BrN3O/c1-5-2-3-12-7(13)6(9)4-10-8(12)11-5/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyHMFSLARMDGETEL-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.21
Rot. Bonds

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

7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 170056549) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
PubChem CID170056549
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
SMILESCC1CCn2c(ncc(Br)c2=O)N1
InChIInChI=1S/C8H10BrN3O/c1-5-2-3-12-7(13)6(9)4-10-8(12)11-5/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyHMFSLARMDGETEL-UHFFFAOYSA-N
XLogP1.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136699707
5-Bromo-2-(isopropylamino)-3-methylpyrimidin-4(3H)-one
CID 163196664
2,7-Dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
CID 170054695
N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 137015705

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one (CID 170056549) is 7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one is CC1CCn2c(ncc(Br)c2=O)N1.
What is the InChIKey of 7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is HMFSLARMDGETEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-5-2-3-12-7(13)6(9)4-10-8(12)11-5/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 244.09 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 170056549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).