(1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate

C19H16BrN3O3 — CID 21089053

IUPAC(1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ncn(Cc2ccccc2)c(=O)c1Br)c1ccccc1
InChIInChI=1S/C19H16BrN3O3/c1-22(15-10-6-3-7-11-15)19(25)26-17-16(20)18(24)23(13-21-17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyZOGPONSGUNOJHO-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.69
Rot. Bonds4

About (1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate

(1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate (PubChem CID 21089053) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is (1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name(1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate
PubChem CID21089053
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name(1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ncn(Cc2ccccc2)c(=O)c1Br)c1ccccc1
InChIInChI=1S/C19H16BrN3O3/c1-22(15-10-6-3-7-11-15)19(25)26-17-16(20)18(24)23(13-21-17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyZOGPONSGUNOJHO-UHFFFAOYSA-N
XLogP3.69
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate?
The IUPAC name of (1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate (CID 21089053) is (1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate.
What is the SMILES notation for (1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate?
The canonical SMILES for (1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate is CN(C(=O)Oc1ncn(Cc2ccccc2)c(=O)c1Br)c1ccccc1.
What is the InChIKey of (1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate?
The InChIKey is ZOGPONSGUNOJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c1-22(15-10-6-3-7-11-15)19(25)26-17-16(20)18(24)23(13-21-17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3.
What are the key properties of (1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate?
(1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate has a molecular weight of 414.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-bromo-6-oxopyrimidin-4-yl) N-methyl-N-phenylcarbamate is sourced from PubChem (CID 21089053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).