methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate

C19H19BrFN3O3 — CID 10873781

IUPACmethyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cn2c(=O)c(Br)c(C)n(Cc3ccccc3F)c2n1
InChIInChI=1S/C19H19BrFN3O3/c1-11-15(20)16(25)24-10-14(19(2,3)17(26)27-4)22-18(24)23(11)9-12-7-5-6-8-13(12)21/h5-8,10H,9H2,1-4H3
InChIKeyDKSSLRFKZVINQW-UHFFFAOYSA-N
MW436.28 g/mol
LogP3.20
Rot. Bonds4

About methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate

methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate (PubChem CID 10873781) has the molecular formula C19H19BrFN3O3 and a molecular weight of 436.28 g/mol. Its IUPAC name is methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
PubChem CID10873781
Molecular FormulaC19H19BrFN3O3
Molecular Weight436.28 g/mol
Exact Mass435.06
IUPAC Namemethyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cn2c(=O)c(Br)c(C)n(Cc3ccccc3F)c2n1
InChIInChI=1S/C19H19BrFN3O3/c1-11-15(20)16(25)24-10-14(19(2,3)17(26)27-4)22-18(24)23(11)9-12-7-5-6-8-13(12)21/h5-8,10H,9H2,1-4H3
InChIKeyDKSSLRFKZVINQW-UHFFFAOYSA-N
XLogP3.20
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]acetate
CID 118631116
8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one
CID 118631111
methyl 2-(3-chloro-4-fluorophenyl)imino-3-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazine-6-carboxylate
CID 19584977
N-tert-butyl-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601514
1-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598870
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2-methoxyethyl)acetamide
CID 23601551
methyl 4-amino-5-bromo-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 168911179
ethyl 8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
CID 102379141
methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate
CID 115128600
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide
CID 19287650
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23601530
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate (CID 10873781) is methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate is COC(=O)C(C)(C)c1cn2c(=O)c(Br)c(C)n(Cc3ccccc3F)c2n1.
What is the InChIKey of methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
The InChIKey is DKSSLRFKZVINQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O3/c1-11-15(20)16(25)24-10-14(19(2,3)17(26)27-4)22-18(24)23(11)9-12-7-5-6-8-13(12)21/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate has a molecular weight of 436.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-bromo-8-[(2-fluorophenyl)methyl]-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate is sourced from PubChem (CID 10873781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).