methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate

C10H13BrN2O3 — CID 66308577

IUPACmethyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate
SMILESCOC(=O)CCCn1c(C)ncc(Br)c1=O
InChIInChI=1S/C10H13BrN2O3/c1-7-12-6-8(11)10(15)13(7)5-3-4-9(14)16-2/h6H,3-5H2,1-2H3
InChIKeyCMVQVBPDMOUYPJ-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.27
Rot. Bonds4

About methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate

methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate (PubChem CID 66308577) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate
PubChem CID66308577
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Namemethyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate
SMILESCOC(=O)CCCn1c(C)ncc(Br)c1=O
InChIInChI=1S/C10H13BrN2O3/c1-7-12-6-8(11)10(15)13(7)5-3-4-9(14)16-2/h6H,3-5H2,1-2H3
InChIKeyCMVQVBPDMOUYPJ-UHFFFAOYSA-N
XLogP1.27
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-[3-(2-methoxyethoxy)propyl]-2-methylpyrimidin-4-one
CID 103411680
tert-butyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanoate
CID 116662742
5-bromo-2-methyl-3-(9-sulfanylnonyl)pyrimidin-4-one
CID 105344641
3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66310297
5-bromo-3-[4-(ethylamino)butyl]-2-methylpyrimidin-4-one
CID 66309474
5-bromo-2-methyl-3-[4-(propylamino)butyl]pyrimidin-4-one
CID 66309683
5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one
CID 66310095
methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate
CID 79629671
5-bromo-3-[2-(tert-butylamino)ethyl]-2-methylpyrimidin-4-one
CID 66310310
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 66310497
5-bromo-3-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-one
CID 66310934
5-bromo-3-[2-[3-(dimethylamino)propylamino]ethyl]-2-methylpyrimidin-4-one
CID 66309044

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate?
The IUPAC name of methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate (CID 66308577) is methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate?
The canonical SMILES for methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate is COC(=O)CCCn1c(C)ncc(Br)c1=O.
What is the InChIKey of methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate?
The InChIKey is CMVQVBPDMOUYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-7-12-6-8(11)10(15)13(7)5-3-4-9(14)16-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate?
methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate has a molecular weight of 289.13 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate is sourced from PubChem (CID 66308577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).