5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one

C12H13BrN2O2 — CID 121437389

IUPAC5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one
SMILESCOc1ccc(CN2C=C(Br)CNC2=O)cc1
InChIInChI=1S/C12H13BrN2O2/c1-17-11-4-2-9(3-5-11)7-15-8-10(13)6-14-12(15)16/h2-5,8H,6-7H2,1H3,(H,14,16)
InChIKeyZVVNFJHDXTWYRC-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.46
Rot. Bonds3

About 5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one

5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one (PubChem CID 121437389) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one
PubChem CID121437389
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one
SMILESCOc1ccc(CN2C=C(Br)CNC2=O)cc1
InChIInChI=1S/C12H13BrN2O2/c1-17-11-4-2-9(3-5-11)7-15-8-10(13)6-14-12(15)16/h2-5,8H,6-7H2,1H3,(H,14,16)
InChIKeyZVVNFJHDXTWYRC-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64881075
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
7-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71183642
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione
CID 53474889
5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione
CID 90419144
3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 11687421
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one
CID 105458883
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one?
The IUPAC name of 5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one (CID 121437389) is 5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one is COc1ccc(CN2C=C(Br)CNC2=O)cc1.
What is the InChIKey of 5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one?
The InChIKey is ZVVNFJHDXTWYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-17-11-4-2-9(3-5-11)7-15-8-10(13)6-14-12(15)16/h2-5,8H,6-7H2,1H3,(H,14,16).
What are the key properties of 5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one?
5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one has a molecular weight of 297.15 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 121437389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).