7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C6H4BrN3O — CID 135743711

IUPAC7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(Br)c[nH]c12
InChIInChI=1S/C6H4BrN3O/c7-3-1-8-5-4(3)9-2-10-6(5)11/h1-2,8H,(H,9,10,11)
InChIKeyHNQUXIMIIVPBPC-UHFFFAOYSA-N
MW214.02 g/mol
LogP1.01
Rot. Bonds

About 7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135743711) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135743711
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(Br)c[nH]c12
InChIInChI=1S/C6H4BrN3O/c7-3-1-8-5-4(3)9-2-10-6(5)11/h1-2,8H,(H,9,10,11)
InChIKeyHNQUXIMIIVPBPC-UHFFFAOYSA-N
XLogP1.01
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-Deazaguanine
CID 135461003
9-Deazahypoxanthine
CID 135488881
7-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 136002689
2-[(3R)-3-aminopiperidin-1-yl]-7-bromo-3-but-2-ynyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 71720156
2-Amino-3-methyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 10535013
4-Oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde
CID 135408953
7-bromo-5-methyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138006237
Dibromopyrrole-2-carboxamide
CID 44718317
1,3-Dimethyl-7-bromopyrrolo[3,2-d]pyrimidine-2,4-dione
CID 2336646
7-Ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136602297
2-Bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135408950
2,7-Dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135408951

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135743711) is 7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(Br)c[nH]c12.
What is the InChIKey of 7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is HNQUXIMIIVPBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-3-1-8-5-4(3)9-2-10-6(5)11/h1-2,8H,(H,9,10,11).
What are the key properties of 7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 214.02 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135743711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).