2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

C15H17BrClN3O — CID 136920385

IUPAC2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)CNCc1cc(=O)[nH]c(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C15H17BrClN3O/c1-9(2)7-18-8-11-6-14(21)20-15(19-11)10-3-4-13(17)12(16)5-10/h3-6,9,18H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyRCGBFSKKONJGAE-UHFFFAOYSA-N
MW370.68 g/mol
LogP3.60
Rot. Bonds5

About 2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136920385) has the molecular formula C15H17BrClN3O and a molecular weight of 370.68 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136920385
Molecular FormulaC15H17BrClN3O
Molecular Weight370.68 g/mol
Exact Mass369.02
IUPAC Name2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)CNCc1cc(=O)[nH]c(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C15H17BrClN3O/c1-9(2)7-18-8-11-6-14(21)20-15(19-11)10-3-4-13(17)12(16)5-10/h3-6,9,18H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyRCGBFSKKONJGAE-UHFFFAOYSA-N
XLogP3.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136888685
2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136701879
N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 115568392
2-(3-bromo-4-methoxyphenyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136827172
N-[[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994715
2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one
CID 135974715
2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 115565726
5-bromo-2-(3-bromo-4-chlorophenyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480124
2-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206197
2-(4-bromo-3,5-dimethylphenyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136986915
N-[[2-(3-bromo-4-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 113337362
2-[2-chloro-5-[(2-methylpropylamino)methyl]phenyl]-4-[6-[(6-methyl-3-pyridinyl)methoxy]-3-pyridinyl]-1H-pyrimidin-6-one
CID 150403621

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (CID 136920385) is 2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is CC(C)CNCc1cc(=O)[nH]c(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is RCGBFSKKONJGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O/c1-9(2)7-18-8-11-6-14(21)20-15(19-11)10-3-4-13(17)12(16)5-10/h3-6,9,18H,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 370.68 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136920385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).